3-methyl-N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide

C25H30N4O3S — CID 57392963

IUPAC3-methyl-N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCCCC3C)c(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C25H30N4O3S/c1-17-13-15-21(16-14-17)33(31,32)28-24-23(25(30)26-22-12-8-7-9-18(22)2)19(3)27-29(24)20-10-5-4-6-11-20/h4-6,10-11,13-16,18,22,28H,7-9,12H2,1-3H3,(H,26,30)
InChIKeyJAPAWFOXYMNESA-UHFFFAOYSA-N
MW466.61 g/mol
LogP4.60
Rot. Bonds6

About 3-methyl-N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide

3-methyl-N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide (PubChem CID 57392963) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is 3-methyl-N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
PubChem CID57392963
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC Name3-methyl-N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCCCC3C)c(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C25H30N4O3S/c1-17-13-15-21(16-14-17)33(31,32)28-24-23(25(30)26-22-12-8-7-9-18(22)2)19(3)27-29(24)20-10-5-4-6-11-20/h4-6,10-11,13-16,18,22,28H,7-9,12H2,1-3H3,(H,26,30)
InChIKeyJAPAWFOXYMNESA-UHFFFAOYSA-N
XLogP4.60
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide (CID 57392963) is 3-methyl-N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide is Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCCCC3C)c(C)nn2-c2ccccc2)cc1.
What is the InChIKey of 3-methyl-N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is JAPAWFOXYMNESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S/c1-17-13-15-21(16-14-17)33(31,32)28-24-23(25(30)26-22-12-8-7-9-18(22)2)19(3)27-29(24)20-10-5-4-6-11-20/h4-6,10-11,13-16,18,22,28H,7-9,12H2,1-3H3,(H,26,30).
What are the key properties of 3-methyl-N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide?
3-methyl-N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 57392963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).