5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole

C17H10F6N2O2S — CID 22745619

IUPAC5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole
SMILESCS(=O)(=O)c1c(F)cc(-c2cc(C(F)(F)F)nn2-c2cccc(F)c2)cc1F
InChIInChI=1S/C17H10F6N2O2S/c1-28(26,27)16-12(19)5-9(6-13(16)20)14-8-15(17(21,22)23)24-25(14)11-4-2-3-10(18)7-11/h2-8H,1H3
InChIKeyPKRGCVQNCRSGNU-UHFFFAOYSA-N
MW420.33 g/mol
LogP4.38
Rot. Bonds3

About 5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole

5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 22745619) has the molecular formula C17H10F6N2O2S and a molecular weight of 420.33 g/mol. Its IUPAC name is 5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole
PubChem CID22745619
Molecular FormulaC17H10F6N2O2S
Molecular Weight420.33 g/mol
Exact Mass420.04
IUPAC Name5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole
SMILESCS(=O)(=O)c1c(F)cc(-c2cc(C(F)(F)F)nn2-c2cccc(F)c2)cc1F
InChIInChI=1S/C17H10F6N2O2S/c1-28(26,27)16-12(19)5-9(6-13(16)20)14-8-15(17(21,22)23)24-25(14)11-4-2-3-10(18)7-11/h2-8H,1H3
InChIKeyPKRGCVQNCRSGNU-UHFFFAOYSA-N
XLogP4.38
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.33
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole 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 5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole (CID 22745619) is 5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole is CS(=O)(=O)c1c(F)cc(-c2cc(C(F)(F)F)nn2-c2cccc(F)c2)cc1F.
What is the InChIKey of 5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is PKRGCVQNCRSGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N2O2S/c1-28(26,27)16-12(19)5-9(6-13(16)20)14-8-15(17(21,22)23)24-25(14)11-4-2-3-10(18)7-11/h2-8H,1H3.
What are the key properties of 5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole?
5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 420.33 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 22745619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).