1-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide

C18H17ClN4O3S — CID 162666678

IUPAC1-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide
SMILESCN(C)C(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O3S/c1-22(2)18(24)17-11-16(12-3-9-15(10-4-12)27(20,25)26)21-23(17)14-7-5-13(19)6-8-14/h3-11H,1-2H3,(H2,20,25,26)
InChIKeyKAGSFWVIPWRFDA-UHFFFAOYSA-N
MW404.88 g/mol
LogP2.54
Rot. Bonds4

About 1-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide

1-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide (PubChem CID 162666678) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide
PubChem CID162666678
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC Name1-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide
SMILESCN(C)C(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O3S/c1-22(2)18(24)17-11-16(12-3-9-15(10-4-12)27(20,25)26)21-23(17)14-7-5-13(19)6-8-14/h3-11H,1-2H3,(H2,20,25,26)
InChIKeyKAGSFWVIPWRFDA-UHFFFAOYSA-N
XLogP2.54
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide (CID 162666678) is 1-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide is CN(C)C(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide?
The InChIKey is KAGSFWVIPWRFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c1-22(2)18(24)17-11-16(12-3-9-15(10-4-12)27(20,25)26)21-23(17)14-7-5-13(19)6-8-14/h3-11H,1-2H3,(H2,20,25,26).
What are the key properties of 1-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide?
1-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide has a molecular weight of 404.88 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 162666678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).