1-benzyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide

C23H28N4O3S — CID 57398253

IUPAC1-benzyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cnn(Cc2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H28N4O3S/c1-4-19(5-2)25-23(28)21-15-24-27(16-18-9-7-6-8-10-18)22(21)26-31(29,30)20-13-11-17(3)12-14-20/h6-15,19,26H,4-5,16H2,1-3H3,(H,25,28)
InChIKeyVAHWUGMTTGPDQF-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.96
Rot. Bonds9

About 1-benzyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide

1-benzyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide (PubChem CID 57398253) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 1-benzyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide
PubChem CID57398253
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name1-benzyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cnn(Cc2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H28N4O3S/c1-4-19(5-2)25-23(28)21-15-24-27(16-18-9-7-6-8-10-18)22(21)26-31(29,30)20-13-11-17(3)12-14-20/h6-15,19,26H,4-5,16H2,1-3H3,(H,25,28)
InChIKeyVAHWUGMTTGPDQF-UHFFFAOYSA-N
XLogP3.96
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 57390867
N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-propan-2-ylpyrazole-4-carboxamide
CID 57396213
N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-pentan-3-ylpyrazole-4-carboxamide
CID 57396214
N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57396468
N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57399909
N-butan-2-yl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57399910
1-cyclobutyl-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 57401368
1-cyclopentyl-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 57401369
3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
CID 57401682
N-cyclohexyl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57401683
3-[4-(benzylsulfamoyl)anilino]-1-[(1S,2S)-2-cyanocyclohexyl]pyrazole-4-carboxamide
CID 90369497
1-[(1S,2S)-2-cyanocyclohexyl]-3-[4-(propan-2-ylsulfamoyl)anilino]pyrazole-4-carboxamide
CID 91819678

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide (CID 57398253) is 1-benzyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide is CCC(CC)NC(=O)c1cnn(Cc2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-benzyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide?
The InChIKey is VAHWUGMTTGPDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-4-19(5-2)25-23(28)21-15-24-27(16-18-9-7-6-8-10-18)22(21)26-31(29,30)20-13-11-17(3)12-14-20/h6-15,19,26H,4-5,16H2,1-3H3,(H,25,28).
What are the key properties of 1-benzyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide?
1-benzyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 57398253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).