N-(4-ethylsulfonylphenyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide

C26H25N3O4S — CID 39862810

IUPACN-(4-ethylsulfonylphenyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2cn(-c3ccc(C)cc3)nc2-c2cccc(OC)c2)cc1
InChIInChI=1S/C26H25N3O4S/c1-4-34(31,32)23-14-10-20(11-15-23)27-26(30)24-17-29(21-12-8-18(2)9-13-21)28-25(24)19-6-5-7-22(16-19)33-3/h5-17H,4H2,1-3H3,(H,27,30)
InChIKeyVGEJSWYWMISQCH-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.90
Rot. Bonds7

About N-(4-ethylsulfonylphenyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide

N-(4-ethylsulfonylphenyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 39862810) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-(4-ethylsulfonylphenyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfonylphenyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
PubChem CID39862810
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC NameN-(4-ethylsulfonylphenyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2cn(-c3ccc(C)cc3)nc2-c2cccc(OC)c2)cc1
InChIInChI=1S/C26H25N3O4S/c1-4-34(31,32)23-14-10-20(11-15-23)27-26(30)24-17-29(21-12-8-18(2)9-13-21)28-25(24)19-6-5-7-22(16-19)33-3/h5-17H,4H2,1-3H3,(H,27,30)
InChIKeyVGEJSWYWMISQCH-UHFFFAOYSA-N
XLogP4.90
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-ethylsulfonylphenyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46797403
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide
CID 146154275
N-(2-acetamidoethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 26308914
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-pyridin-2-ylpyrazole-4-carboxamide
CID 43016731
N-(2-hydroxypropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78802788
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18226016
N-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119998111
3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 1287980
N-(2-amino-1-cyclopropylethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119616115
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55674688
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonylphenyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(4-ethylsulfonylphenyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide (CID 39862810) is N-(4-ethylsulfonylphenyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-ethylsulfonylphenyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(4-ethylsulfonylphenyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide is CCS(=O)(=O)c1ccc(NC(=O)c2cn(-c3ccc(C)cc3)nc2-c2cccc(OC)c2)cc1.
What is the InChIKey of N-(4-ethylsulfonylphenyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is VGEJSWYWMISQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-4-34(31,32)23-14-10-20(11-15-23)27-26(30)24-17-29(21-12-8-18(2)9-13-21)28-25(24)19-6-5-7-22(16-19)33-3/h5-17H,4H2,1-3H3,(H,27,30).
What are the key properties of N-(4-ethylsulfonylphenyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide?
N-(4-ethylsulfonylphenyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonylphenyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 39862810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).