5-[(4-cyclopropylphenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide

C25H36N4O4S — CID 56949966

IUPAC5-[(4-cyclopropylphenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
SMILESCc1nn(C2CCOCC2)c(NS(=O)(=O)c2ccc(C3CC3)cc2)c1C(=O)N[C@@H](C)C(C)(C)C
InChIInChI=1S/C25H36N4O4S/c1-16-22(24(30)26-17(2)25(3,4)5)23(29(27-16)20-12-14-33-15-13-20)28-34(31,32)21-10-8-19(9-11-21)18-6-7-18/h8-11,17-18,20,28H,6-7,12-15H2,1-5H3,(H,26,30)/t17-/m0/s1
InChIKeyRFWSNJBXMGANOQ-KRWDZBQOSA-N
MW488.65 g/mol
LogP4.39
Rot. Bonds7

About 5-[(4-cyclopropylphenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide

5-[(4-cyclopropylphenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide (PubChem CID 56949966) has the molecular formula C25H36N4O4S and a molecular weight of 488.65 g/mol. Its IUPAC name is 5-[(4-cyclopropylphenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-cyclopropylphenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
PubChem CID56949966
Molecular FormulaC25H36N4O4S
Molecular Weight488.65 g/mol
Exact Mass488.25
IUPAC Name5-[(4-cyclopropylphenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
SMILESCc1nn(C2CCOCC2)c(NS(=O)(=O)c2ccc(C3CC3)cc2)c1C(=O)N[C@@H](C)C(C)(C)C
InChIInChI=1S/C25H36N4O4S/c1-16-22(24(30)26-17(2)25(3,4)5)23(29(27-16)20-12-14-33-15-13-20)28-34(31,32)21-10-8-19(9-11-21)18-6-7-18/h8-11,17-18,20,28H,6-7,12-15H2,1-5H3,(H,26,30)/t17-/m0/s1
InChIKeyRFWSNJBXMGANOQ-KRWDZBQOSA-N
XLogP4.39
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.65
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-methoxycyclohexyl)-3-methyl-5-[(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 56949822
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-(oxolan-3-yl)pyrazole-4-carboxamide
CID 57390868
N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-methoxybutan-2-yl)-3-methyl-5-[(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 57394389
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-(oxan-4-yl)pyrazole-4-carboxamide
CID 57396150
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
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
N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57394707

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyclopropylphenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-[(4-cyclopropylphenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide (CID 56949966) is 5-[(4-cyclopropylphenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-cyclopropylphenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-cyclopropylphenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide is Cc1nn(C2CCOCC2)c(NS(=O)(=O)c2ccc(C3CC3)cc2)c1C(=O)N[C@@H](C)C(C)(C)C.
What is the InChIKey of 5-[(4-cyclopropylphenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide?
The InChIKey is RFWSNJBXMGANOQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H36N4O4S/c1-16-22(24(30)26-17(2)25(3,4)5)23(29(27-16)20-12-14-33-15-13-20)28-34(31,32)21-10-8-19(9-11-21)18-6-7-18/h8-11,17-18,20,28H,6-7,12-15H2,1-5H3,(H,26,30)/t17-/m0/s1.
What are the key properties of 5-[(4-cyclopropylphenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide?
5-[(4-cyclopropylphenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide has a molecular weight of 488.65 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyclopropylphenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 56949966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).