4-(benzylsulfonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide

C16H20N4O3S — CID 69379072

IUPAC4-(benzylsulfonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCC1)c1[nH]ncc1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H20N4O3S/c21-16(18-13-8-4-5-9-13)15-14(10-17-19-15)20-24(22,23)11-12-6-2-1-3-7-12/h1-3,6-7,10,13,20H,4-5,8-9,11H2,(H,17,19)(H,18,21)
InChIKeyKJQZRMVMLMIRNW-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.02
Rot. Bonds6

About 4-(benzylsulfonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide

4-(benzylsulfonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide (PubChem CID 69379072) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-(benzylsulfonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(benzylsulfonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide
PubChem CID69379072
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name4-(benzylsulfonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCC1)c1[nH]ncc1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H20N4O3S/c21-16(18-13-8-4-5-9-13)15-14(10-17-19-15)20-24(22,23)11-12-6-2-1-3-7-12/h1-3,6-7,10,13,20H,4-5,8-9,11H2,(H,17,19)(H,18,21)
InChIKeyKJQZRMVMLMIRNW-UHFFFAOYSA-N
XLogP2.02
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-[(2-ethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;methanol
CID 143263304
2-[(2-chlorophenyl)methylsulfonylamino]-N-cyclohexylbenzamide
CID 17321697
N-benzyl-4-(cyclohexanecarbonylamino)-1H-pyrazole-5-carboxamide
CID 69380102
N-cyclopentyl-4-[(2,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 69378336
N-benzyl-4-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
CID 69379298
2-(2-benzylsulfonylhydrazinyl)-N-cyclopropyl-2-oxoacetamide
CID 8841275
N-cyclohexyl-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide;2-methoxyethanol
CID 143263328
2-benzylsulfonyl-N-cycloheptylpropanamide
CID 46589032
4-benzamido-N-(4-tert-butylcyclohexyl)-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 158915340
N-(1-cyclohexylsulfonylpiperidin-4-yl)-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 59862752
2-(benzenesulfonamido)-N-cycloheptylbenzamide
CID 126412627
N-(4-amino-4-hydroxycyclohexyl)-4-(methylamino)-1H-pyrazole-5-carboxamide
CID 143609180

Frequently Asked Questions

What is the IUPAC name of 4-(benzylsulfonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(benzylsulfonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide (CID 69379072) is 4-(benzylsulfonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(benzylsulfonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(benzylsulfonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide is O=C(NC1CCCC1)c1[nH]ncc1NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 4-(benzylsulfonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide?
The InChIKey is KJQZRMVMLMIRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c21-16(18-13-8-4-5-9-13)15-14(10-17-19-15)20-24(22,23)11-12-6-2-1-3-7-12/h1-3,6-7,10,13,20H,4-5,8-9,11H2,(H,17,19)(H,18,21).
What are the key properties of 4-(benzylsulfonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide?
4-(benzylsulfonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylsulfonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69379072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).