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

C17H20N4O3S — CID 69379490

IUPACN-cyclopentyl-4-[(4-ethenylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
SMILESC=Cc1ccc(S(=O)(=O)Nc2cn[nH]c2C(=O)NC2CCCC2)cc1
InChIInChI=1S/C17H20N4O3S/c1-2-12-7-9-14(10-8-12)25(23,24)21-15-11-18-20-16(15)17(22)19-13-5-3-4-6-13/h2,7-11,13,21H,1,3-6H2,(H,18,20)(H,19,22)
InChIKeyMBOVCGMJVVWIFV-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.53
Rot. Bonds6

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

N-cyclopentyl-4-[(4-ethenylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide (PubChem CID 69379490) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-cyclopentyl-4-[(4-ethenylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[(4-ethenylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
PubChem CID69379490
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-cyclopentyl-4-[(4-ethenylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
SMILESC=Cc1ccc(S(=O)(=O)Nc2cn[nH]c2C(=O)NC2CCCC2)cc1
InChIInChI=1S/C17H20N4O3S/c1-2-12-7-9-14(10-8-12)25(23,24)21-15-11-18-20-16(15)17(22)19-13-5-3-4-6-13/h2,7-11,13,21H,1,3-6H2,(H,18,20)(H,19,22)
InChIKeyMBOVCGMJVVWIFV-UHFFFAOYSA-N
XLogP2.53
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.53
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-ethenylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-4-[(4-ethenylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide (CID 69379490) is N-cyclopentyl-4-[(4-ethenylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[(4-ethenylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[(4-ethenylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide is C=Cc1ccc(S(=O)(=O)Nc2cn[nH]c2C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-4-[(4-ethenylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The InChIKey is MBOVCGMJVVWIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-2-12-7-9-14(10-8-12)25(23,24)21-15-11-18-20-16(15)17(22)19-13-5-3-4-6-13/h2,7-11,13,21H,1,3-6H2,(H,18,20)(H,19,22).
What are the key properties of N-cyclopentyl-4-[(4-ethenylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
N-cyclopentyl-4-[(4-ethenylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(4-ethenylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69379490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).