1-benzyl-N-[5-[(4-chlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]pyrazole-4-carboxamide

C23H20ClN5O4S — CID 166752119

IUPAC1-benzyl-N-[5-[(4-chlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1ncc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H20ClN5O4S/c1-33-23-21(34(31,32)28-19-9-7-18(24)8-10-19)11-20(13-25-23)27-22(30)17-12-26-29(15-17)14-16-5-3-2-4-6-16/h2-13,15,28H,14H2,1H3,(H,27,30)
InChIKeyBOHKMJKMALQVFV-UHFFFAOYSA-N
MW497.96 g/mol
LogP4.04
Rot. Bonds8

About 1-benzyl-N-[5-[(4-chlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]pyrazole-4-carboxamide

1-benzyl-N-[5-[(4-chlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]pyrazole-4-carboxamide (PubChem CID 166752119) has the molecular formula C23H20ClN5O4S and a molecular weight of 497.96 g/mol. Its IUPAC name is 1-benzyl-N-[5-[(4-chlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[5-[(4-chlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]pyrazole-4-carboxamide
PubChem CID166752119
Molecular FormulaC23H20ClN5O4S
Molecular Weight497.96 g/mol
Exact Mass497.09
IUPAC Name1-benzyl-N-[5-[(4-chlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1ncc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H20ClN5O4S/c1-33-23-21(34(31,32)28-19-9-7-18(24)8-10-19)11-20(13-25-23)27-22(30)17-12-26-29(15-17)14-16-5-3-2-4-6-16/h2-13,15,28H,14H2,1H3,(H,27,30)
InChIKeyBOHKMJKMALQVFV-UHFFFAOYSA-N
XLogP4.04
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.96
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide
CID 86996428
1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 29202321
N-(1-benzylpyrazol-4-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55947709
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
methyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate
CID 156583770
1-benzyl-N-(4-fluoro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 32610344
N-(4-chlorophenyl)-2-methoxy-5-[1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethenylamino]pyridine-3-sulfonamide
CID 166752299
1-benzyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-carboxamide
CID 9224121
2-[4-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500639
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-ethylpyrazole-4-carboxamide
CID 19281153
N-(1-benzylpyrazol-4-yl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 55947712

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[5-[(4-chlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[5-[(4-chlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]pyrazole-4-carboxamide (CID 166752119) is 1-benzyl-N-[5-[(4-chlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[5-[(4-chlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[5-[(4-chlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]pyrazole-4-carboxamide is COc1ncc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-benzyl-N-[5-[(4-chlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is BOHKMJKMALQVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O4S/c1-33-23-21(34(31,32)28-19-9-7-18(24)8-10-19)11-20(13-25-23)27-22(30)17-12-26-29(15-17)14-16-5-3-2-4-6-16/h2-13,15,28H,14H2,1H3,(H,27,30).
What are the key properties of 1-benzyl-N-[5-[(4-chlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]pyrazole-4-carboxamide?
1-benzyl-N-[5-[(4-chlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 497.96 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[5-[(4-chlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 166752119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).