5-(3-chlorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-4-carboxamide

C19H19ClN4O3S — CID 166233870

IUPAC5-(3-chlorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]c1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H19ClN4O3S/c1-12(13-6-8-16(9-7-13)24-28(2,26)27)22-19(25)17-11-21-23-18(17)14-4-3-5-15(20)10-14/h3-12,24H,1-2H3,(H,21,23)(H,22,25)
InChIKeyNXDUMLWEMHQBAV-UHFFFAOYSA-N
MW418.91 g/mol
LogP3.59
Rot. Bonds6

About 5-(3-chlorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-4-carboxamide

5-(3-chlorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 166233870) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-4-carboxamide
PubChem CID166233870
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC Name5-(3-chlorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]c1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H19ClN4O3S/c1-12(13-6-8-16(9-7-13)24-28(2,26)27)22-19(25)17-11-21-23-18(17)14-4-3-5-15(20)10-14/h3-12,24H,1-2H3,(H,21,23)(H,22,25)
InChIKeyNXDUMLWEMHQBAV-UHFFFAOYSA-N
XLogP3.59
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(3-chlorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]-1H-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

5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 95795174
5-(4-chlorophenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 94049155
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 155946145
N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(3-propan-2-ylphenyl)-1H-pyrazole-4-carboxamide
CID 171539571
5-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 155949629
5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride
CID 120652144
5-(3-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155949626
N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 92614346
5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 71824303
5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide
CID 75425510
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824675
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 95795144

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-4-carboxamide (CID 166233870) is 5-(3-chlorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-4-carboxamide is CC(NC(=O)c1cn[nH]c1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is NXDUMLWEMHQBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c1-12(13-6-8-16(9-7-13)24-28(2,26)27)22-19(25)17-11-21-23-18(17)14-4-3-5-15(20)10-14/h3-12,24H,1-2H3,(H,21,23)(H,22,25).
What are the key properties of 5-(3-chlorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-4-carboxamide?
5-(3-chlorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 418.91 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 166233870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).