CAS RN: 149739-48-0
CAS Name: 5-[3-(trifluoromethyl)phenyl]-1H-pyrazole
OPENEYE Name: 5-[3-(trifluoromethyl)phenyl]-1H-pyrazole
IUPAC Name: 5-[3-(trifluoromethyl)phenyl]-1H-pyrazole
SYSTEMATIC NAME: 5-[3-(trifluoromethyl)phenyl]-1H-pyrazole
MOLECULAR FORMULA: C10H7F3N2
MOLECULAR WEIGHT: 212.17119
SMILES: C1=CC(=CC(=C1)C(F)(F)F)C2=CC=NN2
Structure:
CAS RN: 61925-60-8
CAS Name: (2-hydroxyphenyl)-(1-phenyl-4-pyrazolyl)methanone
OPENEYE Name: (2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone
IUPAC Name: (2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone
SYSTEMATIC NAME: (2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone
MOLECULAR FORMULA: C16H12N2O2
MOLECULAR WEIGHT: 264.27868
SMILES: C1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=CC=CC=C3O
Structure:
CAS RN: 68540-41-0
CAS Name: (5-bromo-2-hydroxyphenyl)-(1-phenyl-4-pyrazolyl)methanone
OPENEYE Name: (5-bromo-2-hydroxy-phenyl)-(1-phenylpyrazol-4-yl)methanone
IUPAC Name: (5-bromo-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone
SYSTEMATIC NAME: (5-bromanyl-2-oxidanyl-phenyl)-(1-phenylpyrazol-4-yl)methanone
MOLECULAR FORMULA: C16H11BrN2O2
MOLECULAR WEIGHT: 343.17474
SMILES: C1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Br)O
Structure:
CAS RN: 142818-03-9
CAS Name: 1-(4-nitrophenyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid
OPENEYE Name: 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
IUPAC Name: 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SYSTEMATIC NAME: 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
MOLECULAR FORMULA: C11H6F3N3O4
MOLECULAR WEIGHT: 301.17825
SMILES: C1=CC(=CC=C1N2C(=C(C=N2)C(=O)O)C(F)(F)F)[N+](=O)[O-]
Structure:
CAS RN: 154258-82-9
CAS Name: 5-(4-fluorophenyl)-1H-pyrazole
OPENEYE Name: 5-(4-fluorophenyl)-1H-pyrazole
IUPAC Name: 5-(4-fluorophenyl)-1H-pyrazole
SYSTEMATIC NAME: 5-(4-fluorophenyl)-1H-pyrazole
MOLECULAR FORMULA: C9H7FN2
MOLECULAR WEIGHT: 162.163683
SMILES: C1=CC(=CC=C1C2=CC=NN2)F
Structure:
CAS RN: 138907-68-3
CAS Name: 5-amino-1-(4-fluorophenyl)-4-pyrazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylate
IUPAC Name: ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylate
SYSTEMATIC NAME: ethyl 5-azanyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
MOLECULAR FORMULA: C12H12FN3O2
MOLECULAR WEIGHT: 249.240983
SMILES: CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)F)N
Structure:
CAS RN: 235106-13-5
CAS Name: 4-chloro-3-phenyl-5-(trifluoromethyl)-1H-pyrazole
OPENEYE Name: 4-chloro-3-phenyl-5-(trifluoromethyl)-1H-pyrazole
IUPAC Name: 4-chloro-3-phenyl-5-(trifluoromethyl)-1H-pyrazole
SYSTEMATIC NAME: 4-chloranyl-3-phenyl-5-(trifluoromethyl)-1H-pyrazole
MOLECULAR FORMULA: C10H6ClF3N2
MOLECULAR WEIGHT: 246.61625
SMILES: C1=CC=C(C=C1)C2=NNC(=C2Cl)C(F)(F)F
Structure:
CAS RN: 99994-22-6
CAS Name: 1-(4-chlorophenyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid
OPENEYE Name: 1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
IUPAC Name: 1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SYSTEMATIC NAME: 1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
MOLECULAR FORMULA: C11H6ClF3N2O2
MOLECULAR WEIGHT: 290.62575
SMILES: C1=CC(=CC=C1N2C(=C(C=N2)C(=O)O)C(F)(F)F)Cl
Structure:
CAS RN: 54230-60-3
CAS Name: 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-1,2,4-triazole
OPENEYE Name: 1-(2,4,6-triisopropylphenyl)sulfonyl-1,2,4-triazole
IUPAC Name: 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-1,2,4-triazole
SYSTEMATIC NAME: 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-1,2,4-triazole
MOLECULAR FORMULA: C17H25N3O2S
MOLECULAR WEIGHT: 335.4643
SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2C=NC=N2)C(C)C
Structure:
CAS RN: 54322-81-5
CAS Name: 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-1,2,4-triazole
OPENEYE Name: 1-(2,4,6-triisopropylphenyl)sulfonyl-1,2,4-triazole
IUPAC Name: 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-1,2,4-triazole
SYSTEMATIC NAME: 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-1,2,4-triazole
MOLECULAR FORMULA: C17H25N3O2S
MOLECULAR WEIGHT: 335.4643
SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2C=NC=N2)C(C)C
Structure:
CAS RN: 407-79-4
CAS Name: (2S)-2-(2,4,5-trichlorophenoxy)propanoic acid
OPENEYE Name: (2S)-2-(2,4,5-trichlorophenoxy)propanoic acid
IUPAC Name: (2S)-2-(2,4,5-trichlorophenoxy)propanoic acid
SYSTEMATIC NAME: (2S)-2-[2,4,5-tris(chloranyl)phenoxy]propanoic acid
MOLECULAR FORMULA: C9H7Cl3O3
MOLECULAR WEIGHT: 269.50908
SMILES: C[C@@H](C(=O)O)OC1=CC(=C(C=C1Cl)Cl)Cl
Structure:
CAS RN: 30365-50-5
CAS Name: (2S)-2-(2,4,5-trichlorophenoxy)propanoic acid
OPENEYE Name: (2S)-2-(2,4,5-trichlorophenoxy)propanoic acid
IUPAC Name: (2S)-2-(2,4,5-trichlorophenoxy)propanoic acid
SYSTEMATIC NAME: (2S)-2-[2,4,5-tris(chloranyl)phenoxy]propanoic acid
MOLECULAR FORMULA: C9H7Cl3O3
MOLECULAR WEIGHT: 269.50908
SMILES: C[C@@H](C(=O)O)OC1=CC(=C(C=C1Cl)Cl)Cl
Structure:
CAS RN: 30365-50-5
CAS Name: (2R)-2-(2,4,5-trichlorophenoxy)propanoic acid
OPENEYE Name: (2R)-2-(2,4,5-trichlorophenoxy)propanoic acid
IUPAC Name: (2R)-2-(2,4,5-trichlorophenoxy)propanoic acid
SYSTEMATIC NAME: (2R)-2-[2,4,5-tris(chloranyl)phenoxy]propanoic acid
MOLECULAR FORMULA: C9H7Cl3O3
MOLECULAR WEIGHT: 269.50908
SMILES: C[C@H](C(=O)O)OC1=CC(=C(C=C1Cl)Cl)Cl
Structure:
CAS RN: 84000-07-7
CAS Name: (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]-methylamino]propanoic acid
OPENEYE Name: (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
IUPAC Name: (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
MOLECULAR FORMULA: C19H19NO4
MOLECULAR WEIGHT: 325.35846
SMILES: C[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
Structure:
CAS RN: 4181-80-0
CAS Name: (2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methanone
OPENEYE Name: (2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methanone
IUPAC Name: (2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methanone
SYSTEMATIC NAME: (2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methanone
MOLECULAR FORMULA: C15H14O4
MOLECULAR WEIGHT: 258.26926
SMILES: COC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)O)OC
Structure:
CAS RN: 28697-17-8
CAS Name: (2R)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperidinecarboxylic acid
OPENEYE Name: (2R)-1-tert-butoxycarbonylpiperidine-2-carboxylic acid
IUPAC Name: (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
SYSTEMATIC NAME: (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
MOLECULAR FORMULA: C11H19NO4
MOLECULAR WEIGHT: 229.27286
SMILES: CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)O
Structure:
CAS RN: 263843-01-2
CAS Name: (2S)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperidinecarboxylic acid
OPENEYE Name: (2S)-1-tert-butoxycarbonylpiperidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
MOLECULAR FORMULA: C11H19NO4
MOLECULAR WEIGHT: 229.27286
SMILES: CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)O
Structure:
CAS RN: 147266-92-0
CAS Name: (2R,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2R,4S)-1-tert-butoxycarbonyl-4-hydroxy-pyrrolidine-2-carboxylic acid
IUPAC Name: (2R,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C10H17NO5
MOLECULAR WEIGHT: 231.24568
SMILES: CC(C)(C)OC(=O)N1C[C@H](C[C@@H]1C(=O)O)O
Structure:
CAS RN: 89123-72-8
CAS Name: (2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S,4S)-1-tert-butoxycarbonyl-4-hydroxy-pyrrolidine-2-carboxylic acid
IUPAC Name: (2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C10H17NO5
MOLECULAR WEIGHT: 231.24568
SMILES: CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)O)O
Structure:
CAS RN: 71026-66-9
CAS Name: N-(4-aminophenyl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(4-aminophenyl)carbamate
IUPAC Name: tert-butyl N-(4-aminophenyl)carbamate
SYSTEMATIC NAME: tert-butyl N-(4-aminophenyl)carbamate
MOLECULAR FORMULA: C11H16N2O2
MOLECULAR WEIGHT: 208.25694
SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)N
Structure:
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