5-(cyclohexylsulfonylamino)-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide

C23H34N4O3S — CID 57398259

IUPAC5-(cyclohexylsulfonylamino)-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(NS(=O)(=O)C2CCCCC2)c1C(=O)N[C@@H](C)C(C)(C)C
InChIInChI=1S/C23H34N4O3S/c1-16-20(22(28)24-17(2)23(3,4)5)21(27(25-16)18-12-8-6-9-13-18)26-31(29,30)19-14-10-7-11-15-19/h6,8-9,12-13,17,19,26H,7,10-11,14-15H2,1-5H3,(H,24,28)/t17-/m0/s1
InChIKeyOXMJHPPXJIHMMG-KRWDZBQOSA-N
MW446.62 g/mol
LogP4.42
Rot. Bonds6

About 5-(cyclohexylsulfonylamino)-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide

5-(cyclohexylsulfonylamino)-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 57398259) has the molecular formula C23H34N4O3S and a molecular weight of 446.62 g/mol. Its IUPAC name is 5-(cyclohexylsulfonylamino)-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylsulfonylamino)-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID57398259
Molecular FormulaC23H34N4O3S
Molecular Weight446.62 g/mol
Exact Mass446.24
IUPAC Name5-(cyclohexylsulfonylamino)-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(NS(=O)(=O)C2CCCCC2)c1C(=O)N[C@@H](C)C(C)(C)C
InChIInChI=1S/C23H34N4O3S/c1-16-20(22(28)24-17(2)23(3,4)5)21(27(25-16)18-12-8-6-9-13-18)26-31(29,30)19-14-10-7-11-15-19/h6,8-9,12-13,17,19,26H,7,10-11,14-15H2,1-5H3,(H,24,28)/t17-/m0/s1
InChIKeyOXMJHPPXJIHMMG-KRWDZBQOSA-N
XLogP4.42
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(cyclohexylsulfonylamino)-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide with MolForge

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Related Compounds

5-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 54752118
1-cyclohexyl-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 57390867
3-methyl-N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57392963
N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methyl-5-(pyridin-3-ylsulfonylamino)pyrazole-4-carboxamide
CID 57394708
N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-(thian-4-yl)pyrazole-4-carboxamide
CID 57396149
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-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methyl-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyrazole-4-carboxamide
CID 57398260
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

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylsulfonylamino)-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-(cyclohexylsulfonylamino)-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide (CID 57398259) is 5-(cyclohexylsulfonylamino)-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(cyclohexylsulfonylamino)-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-(cyclohexylsulfonylamino)-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(NS(=O)(=O)C2CCCCC2)c1C(=O)N[C@@H](C)C(C)(C)C.
What is the InChIKey of 5-(cyclohexylsulfonylamino)-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is OXMJHPPXJIHMMG-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H34N4O3S/c1-16-20(22(28)24-17(2)23(3,4)5)21(27(25-16)18-12-8-6-9-13-18)26-31(29,30)19-14-10-7-11-15-19/h6,8-9,12-13,17,19,26H,7,10-11,14-15H2,1-5H3,(H,24,28)/t17-/m0/s1.
What are the key properties of 5-(cyclohexylsulfonylamino)-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide?
5-(cyclohexylsulfonylamino)-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 446.62 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylsulfonylamino)-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 57398259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).