N-cyclopentyl-4-[(4-methylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide

C16H20N4O3S — CID 69378961

IUPACN-cyclopentyl-4-[(4-methylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cn[nH]c2C(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H20N4O3S/c1-11-6-8-13(9-7-11)24(22,23)20-14-10-17-19-15(14)16(21)18-12-4-2-3-5-12/h6-10,12,20H,2-5H2,1H3,(H,17,19)(H,18,21)
InChIKeyVRGJDWHJQNUSDK-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.19
Rot. Bonds5

About N-cyclopentyl-4-[(4-methylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide

N-cyclopentyl-4-[(4-methylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide (PubChem CID 69378961) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-cyclopentyl-4-[(4-methylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[(4-methylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
PubChem CID69378961
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-cyclopentyl-4-[(4-methylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cn[nH]c2C(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H20N4O3S/c1-11-6-8-13(9-7-11)24(22,23)20-14-10-17-19-15(14)16(21)18-12-4-2-3-5-12/h6-10,12,20H,2-5H2,1H3,(H,17,19)(H,18,21)
InChIKeyVRGJDWHJQNUSDK-UHFFFAOYSA-N
XLogP2.19
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-Benzyl-N-(1H-pyrazol-3-ylmethyl)-2-(toluene-4-sulfonylamino)-benzamide
CID 44328272
4-Chloro-N-[(1R,5R,7S)-2-(4-methylbenzenesulfonyl)-2-azabicyclo[3.2.0]heptan-7-YL]-1H-pyrazole-3-carboxamide
CID 92558083
4-Bromo-N-[(1R,5R,7S)-2-(4-methylbenzenesulfonyl)-2-azabicyclo[3.2.0]heptan-7-YL]-2H-pyrazole-3-carboxamide
CID 92558084
N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide
CID 92558135
4-[(2,6-difluorobenzoyl)amino]-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 147183357
N-[1-[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]sulfonylpiperidin-4-yl]-4-[(2,4,6-trifluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 150622663
4-benzamido-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 150656864
4-[(2,6-difluorobenzoyl)amino]-N-[1-[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 151033368
4-benzamido-N-[1-[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 151262391
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 60474361
N-methyl-4-(1-piperazinylsulfonyl)-N-(1H-pyrazol-3-ylmethyl)benzamide hydrochloride
CID 70783979
N-(4-sulfamoylbenzyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 71704440

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(4-methylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-4-[(4-methylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide (CID 69378961) is N-cyclopentyl-4-[(4-methylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[(4-methylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[(4-methylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide is Cc1ccc(S(=O)(=O)Nc2cn[nH]c2C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-4-[(4-methylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The InChIKey is VRGJDWHJQNUSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-11-6-8-13(9-7-11)24(22,23)20-14-10-17-19-15(14)16(21)18-12-4-2-3-5-12/h6-10,12,20H,2-5H2,1H3,(H,17,19)(H,18,21).
What are the key properties of N-cyclopentyl-4-[(4-methylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
N-cyclopentyl-4-[(4-methylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(4-methylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69378961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).