4-(4-chlorophenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)pyrazole-5-carboxylate

C24H19ClN3O4S- — CID 18914556

IUPAC4-(4-chlorophenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)pyrazole-5-carboxylate
SMILESNS(=O)(=O)c1ccc(-c2nn(CCc3ccccc3)c(C(=O)[O-])c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H20ClN3O4S/c25-19-10-6-17(7-11-19)21-22(18-8-12-20(13-9-18)33(26,31)32)27-28(23(21)24(29)30)15-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,29,30)(H2,26,31,32)/p-1
InChIKeyVFUMTMFDMLPSCS-UHFFFAOYSA-M
MW480.95 g/mol
LogP3.12
Rot. Bonds7

About 4-(4-chlorophenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)pyrazole-5-carboxylate

4-(4-chlorophenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)pyrazole-5-carboxylate (PubChem CID 18914556) has the molecular formula C24H19ClN3O4S- and a molecular weight of 480.95 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)pyrazole-5-carboxylate.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)pyrazole-5-carboxylate
PubChem CID18914556
Molecular FormulaC24H19ClN3O4S-
Molecular Weight480.95 g/mol
Exact Mass480.08
IUPAC Name4-(4-chlorophenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)pyrazole-5-carboxylate
SMILESNS(=O)(=O)c1ccc(-c2nn(CCc3ccccc3)c(C(=O)[O-])c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H20ClN3O4S/c25-19-10-6-17(7-11-19)21-22(18-8-12-20(13-9-18)33(26,31)32)27-28(23(21)24(29)30)15-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,29,30)(H2,26,31,32)/p-1
InChIKeyVFUMTMFDMLPSCS-UHFFFAOYSA-M
XLogP3.12
TPSA118.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.95
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(4-chlorophenyl)-5-methyl-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide
CID 19355267
1-benzyl-4-(4-methylphenyl)-N-phenyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide
CID 19355610
1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 43016615
4-[2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-1-yl]ethyl]benzenesulfonamide
CID 171716810
4-[5-cyano-4-(3-fluoro-4-methoxyphenyl)-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide
CID 19355884
4-[1-benzyl-5-cyano-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
CID 19355971
3-(4-chlorophenyl)-1-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine
CID 59752588
3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylic acid
CID 52916544
4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)-1-(2-phenylethyl)pyrazole
CID 19355192
4-[4-(4-chlorophenyl)-5-cyano-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide
CID 54228884
4-[1-(3-hydroxypropyl)-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 19355617
2-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]butanoic acid
CID 54115831

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)pyrazole-5-carboxylate?
The IUPAC name of 4-(4-chlorophenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)pyrazole-5-carboxylate (CID 18914556) is 4-(4-chlorophenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)pyrazole-5-carboxylate.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)pyrazole-5-carboxylate?
The canonical SMILES for 4-(4-chlorophenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)pyrazole-5-carboxylate is NS(=O)(=O)c1ccc(-c2nn(CCc3ccccc3)c(C(=O)[O-])c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)pyrazole-5-carboxylate?
The InChIKey is VFUMTMFDMLPSCS-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H20ClN3O4S/c25-19-10-6-17(7-11-19)21-22(18-8-12-20(13-9-18)33(26,31)32)27-28(23(21)24(29)30)15-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,29,30)(H2,26,31,32)/p-1.
What are the key properties of 4-(4-chlorophenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)pyrazole-5-carboxylate?
4-(4-chlorophenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)pyrazole-5-carboxylate has a molecular weight of 480.95 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)pyrazole-5-carboxylate is sourced from PubChem (CID 18914556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).