1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide

C17H13F2N3O3S — CID 10809594

IUPAC1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2cc(C(N)=O)nn2-c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H13F2N3O3S/c1-26(24,25)12-5-2-10(3-6-12)16-9-14(17(20)23)21-22(16)15-7-4-11(18)8-13(15)19/h2-9H,1H3,(H2,20,23)
InChIKeyZVFGGYVUTZFCMX-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.32
Rot. Bonds4

About 1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide

1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide (PubChem CID 10809594) has the molecular formula C17H13F2N3O3S and a molecular weight of 377.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide
PubChem CID10809594
Molecular FormulaC17H13F2N3O3S
Molecular Weight377.37 g/mol
Exact Mass377.06
IUPAC Name1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2cc(C(N)=O)nn2-c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H13F2N3O3S/c1-26(24,25)12-5-2-10(3-6-12)16-9-14(17(20)23)21-22(16)15-7-4-11(18)8-13(15)19/h2-9H,1H3,(H2,20,23)
InChIKeyZVFGGYVUTZFCMX-UHFFFAOYSA-N
XLogP2.32
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide (CID 10809594) is 1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide is CS(=O)(=O)c1ccc(-c2cc(C(N)=O)nn2-c2ccc(F)cc2F)cc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide?
The InChIKey is ZVFGGYVUTZFCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3S/c1-26(24,25)12-5-2-10(3-6-12)16-9-14(17(20)23)21-22(16)15-7-4-11(18)8-13(15)19/h2-9H,1H3,(H2,20,23).
What are the key properties of 1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide?
1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 10809594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).