1-(4-chlorophenyl)-5-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide

C19H19ClN4O3S — CID 155561040

IUPAC1-(4-chlorophenyl)-5-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1
InChIInChI=1S/C19H19ClN4O3S/c1-13-18(12-23-24(13)16-7-5-15(20)6-8-16)19(25)22-11-14-3-9-17(10-4-14)28(26,27)21-2/h3-10,12,21H,11H2,1-2H3,(H,22,25)
InChIKeyWZCWUJKFAJLIIW-UHFFFAOYSA-N
MW418.91 g/mol
LogP2.67
Rot. Bonds6

About 1-(4-chlorophenyl)-5-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide

1-(4-chlorophenyl)-5-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 155561040) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID155561040
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC Name1-(4-chlorophenyl)-5-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1
InChIInChI=1S/C19H19ClN4O3S/c1-13-18(12-23-24(13)16-7-5-15(20)6-8-16)19(25)22-11-14-3-9-17(10-4-14)28(26,27)21-2/h3-10,12,21H,11H2,1-2H3,(H,22,25)
InChIKeyWZCWUJKFAJLIIW-UHFFFAOYSA-N
XLogP2.67
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide (CID 155561040) is 1-(4-chlorophenyl)-5-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide is CNS(=O)(=O)c1ccc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is WZCWUJKFAJLIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c1-13-18(12-23-24(13)16-7-5-15(20)6-8-16)19(25)22-11-14-3-9-17(10-4-14)28(26,27)21-2/h3-10,12,21H,11H2,1-2H3,(H,22,25).
What are the key properties of 1-(4-chlorophenyl)-5-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide?
1-(4-chlorophenyl)-5-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 418.91 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 155561040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).