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

C19H18ClN3O3S — CID 173275801

IUPAC4-(4-chlorophenyl)-N,N-dimethyl-3-(4-methylsulfonylphenyl)pyrazole-1-carboxamide
SMILESCN(C)C(=O)n1cc(-c2ccc(Cl)cc2)c(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C19H18ClN3O3S/c1-22(2)19(24)23-12-17(13-4-8-15(20)9-5-13)18(21-23)14-6-10-16(11-7-14)27(3,25)26/h4-12H,1-3H3
InChIKeyMVWIORLJRHYSCG-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.80
Rot. Bonds3

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

4-(4-chlorophenyl)-N,N-dimethyl-3-(4-methylsulfonylphenyl)pyrazole-1-carboxamide (PubChem CID 173275801) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-methylsulfonylphenyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N,N-dimethyl-3-(4-methylsulfonylphenyl)pyrazole-1-carboxamide
PubChem CID173275801
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC Name4-(4-chlorophenyl)-N,N-dimethyl-3-(4-methylsulfonylphenyl)pyrazole-1-carboxamide
SMILESCN(C)C(=O)n1cc(-c2ccc(Cl)cc2)c(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C19H18ClN3O3S/c1-22(2)19(24)23-12-17(13-4-8-15(20)9-5-13)18(21-23)14-6-10-16(11-7-14)27(3,25)26/h4-12H,1-3H3
InChIKeyMVWIORLJRHYSCG-UHFFFAOYSA-N
XLogP3.80
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.80
H-Bond Donors ≤ 50
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-methylsulfonylphenyl)pyrazole-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-methylsulfonylphenyl)pyrazole-1-carboxamide (CID 173275801) is 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-methylsulfonylphenyl)pyrazole-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-methylsulfonylphenyl)pyrazole-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-methylsulfonylphenyl)pyrazole-1-carboxamide is CN(C)C(=O)n1cc(-c2ccc(Cl)cc2)c(-c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-methylsulfonylphenyl)pyrazole-1-carboxamide?
The InChIKey is MVWIORLJRHYSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-22(2)19(24)23-12-17(13-4-8-15(20)9-5-13)18(21-23)14-6-10-16(11-7-14)27(3,25)26/h4-12H,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-methylsulfonylphenyl)pyrazole-1-carboxamide?
4-(4-chlorophenyl)-N,N-dimethyl-3-(4-methylsulfonylphenyl)pyrazole-1-carboxamide has a molecular weight of 403.89 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 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-methylsulfonylphenyl)pyrazole-1-carboxamide is sourced from PubChem (CID 173275801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).