CAS RN: 925142-81-0
CAS Name: 1-[1-(3-chlorophenyl)-4-pyrazolyl]ethanone
OPENEYE Name: 1-[1-(3-chlorophenyl)pyrazol-4-yl]ethanone
IUPAC Name: 1-[1-(3-chlorophenyl)pyrazol-4-yl]ethanone
SYSTEMATIC NAME: 1-[1-(3-chlorophenyl)pyrazol-4-yl]ethanone
MOLECULAR FORMULA: C11H9ClN2O
MOLECULAR WEIGHT: 220.65496
SMILES: CC(=O)C1=CN(N=C1)C2=CC(=CC=C2)Cl
Structure:
CAS RN: 925155-57-3
CAS Name: 1-[1-(2-chlorophenyl)-4-pyrazolyl]ethanone
OPENEYE Name: 1-[1-(2-chlorophenyl)pyrazol-4-yl]ethanone
IUPAC Name: 1-[1-(2-chlorophenyl)pyrazol-4-yl]ethanone
SYSTEMATIC NAME: 1-[1-(2-chlorophenyl)pyrazol-4-yl]ethanone
MOLECULAR FORMULA: C11H9ClN2O
MOLECULAR WEIGHT: 220.65496
SMILES: CC(=O)C1=CN(N=C1)C2=CC=CC=C2Cl
Structure:
CAS RN: 925580-76-3
CAS Name: 1-[1-(4-chlorophenyl)-4-pyrazolyl]ethanone
OPENEYE Name: 1-[1-(4-chlorophenyl)pyrazol-4-yl]ethanone
IUPAC Name: 1-[1-(4-chlorophenyl)pyrazol-4-yl]ethanone
SYSTEMATIC NAME: 1-[1-(4-chlorophenyl)pyrazol-4-yl]ethanone
MOLECULAR FORMULA: C11H9ClN2O
MOLECULAR WEIGHT: 220.65496
SMILES: CC(=O)C1=CN(N=C1)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 214614-81-0
CAS Name: 2-(4-bromo-1-pyrazolyl)ethanol
OPENEYE Name: 2-(4-bromopyrazol-1-yl)ethanol
IUPAC Name: 2-(4-bromopyrazol-1-yl)ethanol
SYSTEMATIC NAME: 2-(4-bromanylpyrazol-1-yl)ethanol
MOLECULAR FORMULA: C5H7BrN2O
MOLECULAR WEIGHT: 191.02588
SMILES: C1=C(C=NN1CCO)Br
Structure:
CAS RN: 925146-05-0
CAS Name: 6-(difluoromethyl)-4-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine
OPENEYE Name: 6-(difluoromethyl)-4-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine
IUPAC Name: 6-(difluoromethyl)-4-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine
SYSTEMATIC NAME: 6-[bis(fluoranyl)methyl]-4-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine
MOLECULAR FORMULA: C8H8F2N4
MOLECULAR WEIGHT: 198.172726
SMILES: CC1=CC(=NC2=NNC(=C12)N)C(F)F
Structure:
CAS RN: 908509-16-0
CAS Name: N-(4-tert-butyl-2-thiazolyl)-2-chloroacetamide
OPENEYE Name: N-(4-tert-butylthiazol-2-yl)-2-chloro-acetamide
IUPAC Name: N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloroacetamide
SYSTEMATIC NAME: N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloranyl-ethanamide
MOLECULAR FORMULA: C9H13ClN2OS
MOLECULAR WEIGHT: 232.73032
SMILES: CC(C)(C)C1=CSC(=N1)NC(=O)CCl
Structure:
CAS RN: 828241-99-2
CAS Name: [1-methyl-5-(trifluoromethyl)-2-benzimidazolyl]methanamine
OPENEYE Name: [1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methanamine
IUPAC Name: [1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methanamine
SYSTEMATIC NAME: [1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methanamine
MOLECULAR FORMULA: C10H10F3N3
MOLECULAR WEIGHT: 229.20171
SMILES: CN1C2=C(C=C(C=C2)C(F)(F)F)N=C1CN
Structure:
CAS RN: 845872-49-3
CAS Name: 1-benzothiophen-5-ylboronic acid
OPENEYE Name: benzothiophen-5-ylboronic acid
IUPAC Name: 1-benzothiophen-5-ylboronic acid
SYSTEMATIC NAME: 1-benzothiophen-5-ylboronic acid
MOLECULAR FORMULA: C8H7BO2S
MOLECULAR WEIGHT: 178.01598
SMILES: B(C1=CC2=C(C=C1)SC=C2)(O)O
Structure:
CAS RN: 851670-19-4
CAS Name: 2-(3-methyl-2-pyridinyl)ethanamine
OPENEYE Name: 2-(3-methyl-2-pyridyl)ethanamine
IUPAC Name: 2-(3-methylpyridin-2-yl)ethanamine
SYSTEMATIC NAME: 2-(3-methylpyridin-2-yl)ethanamine
MOLECULAR FORMULA: C8H12N2
MOLECULAR WEIGHT: 136.19428
SMILES: CC1=C(N=CC=C1)CCN
Structure:
CAS RN: 405928-19-0
CAS Name: N-methyl-1-(1-methyl-4-piperidinyl)methanamine
OPENEYE Name: N-methyl-1-(1-methyl-4-piperidyl)methanamine
IUPAC Name: N-methyl-1-(1-methylpiperidin-4-yl)methanamine
SYSTEMATIC NAME: N-methyl-1-(1-methylpiperidin-4-yl)methanamine
MOLECULAR FORMULA: C8H18N2
MOLECULAR WEIGHT: 142.24192
SMILES: CNCC1CCN(CC1)C
Structure:
CAS RN: 937647-97-7
CAS Name: 1-(8-methoxy-5-quinolinyl)-N-methylmethanamine
OPENEYE Name: 1-(8-methoxy-5-quinolyl)-N-methyl-methanamine
IUPAC Name: 1-(8-methoxyquinolin-5-yl)-N-methylmethanamine
SYSTEMATIC NAME: 1-(8-methoxyquinolin-5-yl)-N-methyl-methanamine
MOLECULAR FORMULA: C12H14N2O
MOLECULAR WEIGHT: 202.25236
SMILES: CNCC1=C2C=CC=NC2=C(C=C1)OC
Structure:
CAS RN: 157610-84-9
CAS Name: 1-(5-isoquinolinyl)-N-methylmethanamine
OPENEYE Name: 1-(5-isoquinolyl)-N-methyl-methanamine
IUPAC Name: 1-isoquinolin-5-yl-N-methylmethanamine
SYSTEMATIC NAME: 1-isoquinolin-5-yl-N-methyl-methanamine
MOLECULAR FORMULA: C11H12N2
MOLECULAR WEIGHT: 172.22638
SMILES: CNCC1=CC=CC2=C1C=CN=C2
Structure:
CAS RN: 476620-22-1
CAS Name: [3-(1-pyrazolyl)phenyl]boronic acid
OPENEYE Name: (3-pyrazol-1-ylphenyl)boronic acid
IUPAC Name: (3-pyrazol-1-ylphenyl)boronic acid
SYSTEMATIC NAME: (3-pyrazol-1-ylphenyl)boronic acid
MOLECULAR FORMULA: C9H9BN2O2
MOLECULAR WEIGHT: 187.99096
SMILES: B(C1=CC(=CC=C1)N2C=CC=N2)(O)O
Structure:
CAS RN: 19492-95-6
CAS Name: 3-bromo-5-nitro-1-benzothiophene
OPENEYE Name: 3-bromo-5-nitro-benzothiophene
IUPAC Name: 3-bromo-5-nitro-1-benzothiophene
SYSTEMATIC NAME: 3-bromanyl-5-nitro-1-benzothiophene
MOLECULAR FORMULA: C8H4BrNO2S
MOLECULAR WEIGHT: 258.09186
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=CS2)Br
Structure:
CAS RN: 825633-94-1
CAS Name: 4-iodo-1H-pyridazin-6-one
OPENEYE Name: 4-iodo-1H-pyridazin-6-one
IUPAC Name: 4-iodo-1H-pyridazin-6-one
SYSTEMATIC NAME: 4-iodanyl-1H-pyridazin-6-one
MOLECULAR FORMULA: C4H3IN2O
MOLECULAR WEIGHT: 221.98389
SMILES: C1=C(C=NNC1=O)I
Structure:
CAS RN: 6308-78-7
CAS Name: trimethyl-[2-(3,4,5-trimethoxyphenyl)ethyl]ammonium iodide
OPENEYE Name: trimethyl-[2-(3,4,5-trimethoxyphenyl)ethyl]ammonium iodide
IUPAC Name: trimethyl-[2-(3,4,5-trimethoxyphenyl)ethyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[2-(3,4,5-trimethoxyphenyl)ethyl]azanium iodide
MOLECULAR FORMULA: C14H24INO3
MOLECULAR WEIGHT: 381.24973
SMILES: C[N+](C)(C)CCC1=CC(=C(C(=C1)OC)OC)OC.[I-]
Structure:
CAS RN: 4664-45-3
CAS Name: 5-[(4-methylphenyl)methyl]-2-furancarboxylic acid
OPENEYE Name: 5-(p-tolylmethyl)furan-2-carboxylic acid
IUPAC Name: 5-[(4-methylphenyl)methyl]furan-2-carboxylic acid
SYSTEMATIC NAME: 5-[(4-methylphenyl)methyl]furan-2-carboxylic acid
MOLECULAR FORMULA: C13H12O3
MOLECULAR WEIGHT: 216.23258
SMILES: CC1=CC=C(C=C1)CC2=CC=C(O2)C(=O)O
Structure:
CAS RN: 91341-85-4
CAS Name: N-(3-methyl-5-isoxazolyl)-2-(1-piperidinyl)acetamide
OPENEYE Name: N-(3-methylisoxazol-5-yl)-2-(1-piperidyl)acetamide
IUPAC Name: N-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylacetamide
SYSTEMATIC NAME: N-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-yl-ethanamide
MOLECULAR FORMULA: C11H17N3O2
MOLECULAR WEIGHT: 223.27158
SMILES: CC1=NOC(=C1)NC(=O)CN2CCCCC2
Structure:
CAS RN: 366-44-9
CAS Name: 2-chloro-N-(4-fluoro-2-methylphenyl)acetamide
OPENEYE Name: 2-chloro-N-(4-fluoro-2-methyl-phenyl)acetamide
IUPAC Name: 2-chloro-N-(4-fluoro-2-methylphenyl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(4-fluoranyl-2-methyl-phenyl)ethanamide
MOLECULAR FORMULA: C9H9ClFNO
MOLECULAR WEIGHT: 201.625263
SMILES: CC1=C(C=CC(=C1)F)NC(=O)CCl
Structure:
CAS RN: 54812-55-4
CAS Name: (3-chloro-4-methoxyphenyl)hydrazine hydrochloride
OPENEYE Name: (3-chloro-4-methoxy-phenyl)hydrazine hydrochloride
IUPAC Name: (3-chloro-4-methoxyphenyl)hydrazine hydrochloride
SYSTEMATIC NAME: (3-chloranyl-4-methoxy-phenyl)diazane hydrochloride
MOLECULAR FORMULA: C7H10Cl2N2O
MOLECULAR WEIGHT: 209.0731
SMILES: COC1=C(C=C(C=C1)NN)Cl.Cl
Structure:
CAS RN: 400877-08-9
CAS Name: 2-[(1,3,5-trimethyl-4-pyrazolyl)methylamino]ethanol
OPENEYE Name: 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol
IUPAC Name: 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol
SYSTEMATIC NAME: 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol
MOLECULAR FORMULA: C9H17N3O
MOLECULAR WEIGHT: 183.25078
SMILES: CC1=C(C(=NN1C)C)CNCCO
Structure:
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