4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide

C18H17ClN4O3S — CID 173275897

IUPAC4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide
SMILESCN(C)C(=O)n1cc(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C18H17ClN4O3S/c1-22(2)18(24)23-11-16(12-3-7-14(19)8-4-12)17(21-23)13-5-9-15(10-6-13)27(20,25)26/h3-11H,1-2H3,(H2,20,25,26)
InChIKeySNJWGDLHLTZVRL-UHFFFAOYSA-N
MW404.88 g/mol
LogP3.05
Rot. Bonds3

About 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide

4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide (PubChem CID 173275897) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide
PubChem CID173275897
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC Name4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide
SMILESCN(C)C(=O)n1cc(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C18H17ClN4O3S/c1-22(2)18(24)23-11-16(12-3-7-14(19)8-4-12)17(21-23)13-5-9-15(10-6-13)27(20,25)26/h3-11H,1-2H3,(H2,20,25,26)
InChIKeySNJWGDLHLTZVRL-UHFFFAOYSA-N
XLogP3.05
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide (CID 173275897) is 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide is CN(C)C(=O)n1cc(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide?
The InChIKey is SNJWGDLHLTZVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c1-22(2)18(24)23-11-16(12-3-7-14(19)8-4-12)17(21-23)13-5-9-15(10-6-13)27(20,25)26/h3-11H,1-2H3,(H2,20,25,26).
What are the key properties of 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide?
4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide has a molecular weight of 404.88 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide is sourced from PubChem (CID 173275897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).