N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide

C22H24N4O3S — CID 162643706

IUPACN-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)NC3CCCCC3)cc2-c2ccccc2)cc1
InChIInChI=1S/C22H24N4O3S/c23-30(28,29)19-13-11-18(12-14-19)26-21(16-7-3-1-4-8-16)15-20(25-26)22(27)24-17-9-5-2-6-10-17/h1,3-4,7-8,11-15,17H,2,5-6,9-10H2,(H,24,27)(H2,23,28,29)
InChIKeyITPGDCGHAGCMHS-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.25
Rot. Bonds5

About N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide

N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide (PubChem CID 162643706) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
PubChem CID162643706
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)NC3CCCCC3)cc2-c2ccccc2)cc1
InChIInChI=1S/C22H24N4O3S/c23-30(28,29)19-13-11-18(12-14-19)26-21(16-7-3-1-4-8-16)15-20(25-26)22(27)24-17-9-5-2-6-10-17/h1,3-4,7-8,11-15,17H,2,5-6,9-10H2,(H,24,27)(H2,23,28,29)
InChIKeyITPGDCGHAGCMHS-UHFFFAOYSA-N
XLogP3.25
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide (CID 162643706) is N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide is NS(=O)(=O)c1ccc(-n2nc(C(=O)NC3CCCCC3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The InChIKey is ITPGDCGHAGCMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c23-30(28,29)19-13-11-18(12-14-19)26-21(16-7-3-1-4-8-16)15-20(25-26)22(27)24-17-9-5-2-6-10-17/h1,3-4,7-8,11-15,17H,2,5-6,9-10H2,(H,24,27)(H2,23,28,29).
What are the key properties of N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 162643706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).