3-(4-fluorophenyl)-1-methylsulfonylpyrazole-4-carboxamide

C11H10FN3O3S — CID 135220005

IUPAC3-(4-fluorophenyl)-1-methylsulfonylpyrazole-4-carboxamide
SMILESCS(=O)(=O)n1cc(C(N)=O)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H10FN3O3S/c1-19(17,18)15-6-9(11(13)16)10(14-15)7-2-4-8(12)5-3-7/h2-6H,1H3,(H2,13,16)
InChIKeyIJEUWPGNYFBXNU-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.60
Rot. Bonds3

About 3-(4-fluorophenyl)-1-methylsulfonylpyrazole-4-carboxamide

3-(4-fluorophenyl)-1-methylsulfonylpyrazole-4-carboxamide (PubChem CID 135220005) has the molecular formula C11H10FN3O3S and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methylsulfonylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methylsulfonylpyrazole-4-carboxamide
PubChem CID135220005
Molecular FormulaC11H10FN3O3S
Molecular Weight283.28 g/mol
Exact Mass283.04
IUPAC Name3-(4-fluorophenyl)-1-methylsulfonylpyrazole-4-carboxamide
SMILESCS(=O)(=O)n1cc(C(N)=O)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H10FN3O3S/c1-19(17,18)15-6-9(11(13)16)10(14-15)7-2-4-8(12)5-3-7/h2-6H,1H3,(H2,13,16)
InChIKeyIJEUWPGNYFBXNU-UHFFFAOYSA-N
XLogP0.60
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)-1-methylsulfonylpyrazole-4-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 3-(4-fluorophenyl)-1-methylsulfonylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-1-methylsulfonylpyrazole-4-carboxamide (CID 135220005) is 3-(4-fluorophenyl)-1-methylsulfonylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methylsulfonylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-1-methylsulfonylpyrazole-4-carboxamide is CS(=O)(=O)n1cc(C(N)=O)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-(4-fluorophenyl)-1-methylsulfonylpyrazole-4-carboxamide?
The InChIKey is IJEUWPGNYFBXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3S/c1-19(17,18)15-6-9(11(13)16)10(14-15)7-2-4-8(12)5-3-7/h2-6H,1H3,(H2,13,16).
What are the key properties of 3-(4-fluorophenyl)-1-methylsulfonylpyrazole-4-carboxamide?
3-(4-fluorophenyl)-1-methylsulfonylpyrazole-4-carboxamide has a molecular weight of 283.28 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methylsulfonylpyrazole-4-carboxamide is sourced from PubChem (CID 135220005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).