1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide

C25H23ClN4O3S — CID 43016615

IUPAC1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H23ClN4O3S/c26-21-10-8-20(9-11-21)24-23(17-30(29-24)16-19-4-2-1-3-5-19)25(31)28-15-14-18-6-12-22(13-7-18)34(27,32)33/h1-13,17H,14-16H2,(H,28,31)(H2,27,32,33)
InChIKeyFUDLKTISLDYILX-UHFFFAOYSA-N
MW495.00 g/mol
LogP3.87
Rot. Bonds8

About 1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide

1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide (PubChem CID 43016615) has the molecular formula C25H23ClN4O3S and a molecular weight of 495.00 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
PubChem CID43016615
Molecular FormulaC25H23ClN4O3S
Molecular Weight495.00 g/mol
Exact Mass494.12
IUPAC Name1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H23ClN4O3S/c26-21-10-8-20(9-11-21)24-23(17-30(29-24)16-19-4-2-1-3-5-19)25(31)28-15-14-18-6-12-22(13-7-18)34(27,32)33/h1-13,17H,14-16H2,(H,28,31)(H2,27,32,33)
InChIKeyFUDLKTISLDYILX-UHFFFAOYSA-N
XLogP3.87
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.00
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]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

1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 51180334
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 18205042
N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide
CID 90280333
1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 119429455
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 31304316
methyl 4-[2-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]amino]ethyl]benzoate
CID 55512860
3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 46920467
ethyl N-[2-[[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 56557916
1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 31446508
1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 52563431
1-benzyl-3-phenyl-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]pyrazole-4-carboxamide
CID 96504113

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide (CID 43016615) is 1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide?
The InChIKey is FUDLKTISLDYILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3S/c26-21-10-8-20(9-11-21)24-23(17-30(29-24)16-19-4-2-1-3-5-19)25(31)28-15-14-18-6-12-22(13-7-18)34(27,32)33/h1-13,17H,14-16H2,(H,28,31)(H2,27,32,33).
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide?
1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide has a molecular weight of 495.00 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 43016615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).