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

C24H28N4O3S — CID 57401683

IUPACN-cyclohexyl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCCCC3)c(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C24H28N4O3S/c1-17-13-15-21(16-14-17)32(30,31)27-23-22(24(29)25-19-9-5-3-6-10-19)18(2)26-28(23)20-11-7-4-8-12-20/h4,7-8,11-16,19,27H,3,5-6,9-10H2,1-2H3,(H,25,29)
InChIKeyNDPIIMOHNSUYSI-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.35
Rot. Bonds6

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

N-cyclohexyl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide (PubChem CID 57401683) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
PubChem CID57401683
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN-cyclohexyl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCCCC3)c(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C24H28N4O3S/c1-17-13-15-21(16-14-17)32(30,31)27-23-22(24(29)25-19-9-5-3-6-10-19)18(2)26-28(23)20-11-7-4-8-12-20/h4,7-8,11-16,19,27H,3,5-6,9-10H2,1-2H3,(H,25,29)
InChIKeyNDPIIMOHNSUYSI-UHFFFAOYSA-N
XLogP4.35
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide (CID 57401683) is N-cyclohexyl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide is Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCCCC3)c(C)nn2-c2ccccc2)cc1.
What is the InChIKey of N-cyclohexyl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is NDPIIMOHNSUYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-17-13-15-21(16-14-17)32(30,31)27-23-22(24(29)25-19-9-5-3-6-10-19)18(2)26-28(23)20-11-7-4-8-12-20/h4,7-8,11-16,19,27H,3,5-6,9-10H2,1-2H3,(H,25,29).
What are the key properties of N-cyclohexyl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide?
N-cyclohexyl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 57401683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).