1-cyclopentyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole

C16H16F4N2O2S — CID 10292908

IUPAC1-cyclopentyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole
SMILESCS(=O)(=O)c1cc(F)c(-c2cc(C(F)F)nn2C2CCCC2)cc1F
InChIInChI=1S/C16H16F4N2O2S/c1-25(23,24)15-7-11(17)10(6-12(15)18)14-8-13(16(19)20)21-22(14)9-4-2-3-5-9/h6-9,16H,2-5H2,1H3
InChIKeyFDURLHYSGXGVSD-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.28
Rot. Bonds4

About 1-cyclopentyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole

1-cyclopentyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole (PubChem CID 10292908) has the molecular formula C16H16F4N2O2S and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole
PubChem CID10292908
Molecular FormulaC16H16F4N2O2S
Molecular Weight376.38 g/mol
Exact Mass376.09
IUPAC Name1-cyclopentyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole
SMILESCS(=O)(=O)c1cc(F)c(-c2cc(C(F)F)nn2C2CCCC2)cc1F
InChIInChI=1S/C16H16F4N2O2S/c1-25(23,24)15-7-11(17)10(6-12(15)18)14-8-13(16(19)20)21-22(14)9-4-2-3-5-9/h6-9,16H,2-5H2,1H3
InChIKeyFDURLHYSGXGVSD-UHFFFAOYSA-N
XLogP4.28
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)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 1-cyclopentyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole?
The IUPAC name of 1-cyclopentyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole (CID 10292908) is 1-cyclopentyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole.
What is the SMILES notation for 1-cyclopentyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole?
The canonical SMILES for 1-cyclopentyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole is CS(=O)(=O)c1cc(F)c(-c2cc(C(F)F)nn2C2CCCC2)cc1F.
What is the InChIKey of 1-cyclopentyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole?
The InChIKey is FDURLHYSGXGVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N2O2S/c1-25(23,24)15-7-11(17)10(6-12(15)18)14-8-13(16(19)20)21-22(14)9-4-2-3-5-9/h6-9,16H,2-5H2,1H3.
What are the key properties of 1-cyclopentyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole?
1-cyclopentyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole has a molecular weight of 376.38 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole is sourced from PubChem (CID 10292908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).