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

C16H15F5N2O2S — CID 10200635

IUPAC1-cyclopentyl-5-(3,5-difluoro-4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
SMILESCS(=O)(=O)c1c(F)cc(-c2cc(C(F)(F)F)nn2C2CCCC2)cc1F
InChIInChI=1S/C16H15F5N2O2S/c1-26(24,25)15-11(17)6-9(7-12(15)18)13-8-14(16(19,20)21)22-23(13)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyAMJQQPFBFOWWPG-UHFFFAOYSA-N
MW394.37 g/mol
LogP4.37
Rot. Bonds3

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

1-cyclopentyl-5-(3,5-difluoro-4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 10200635) has the molecular formula C16H15F5N2O2S and a molecular weight of 394.37 g/mol. Its IUPAC name is 1-cyclopentyl-5-(3,5-difluoro-4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-5-(3,5-difluoro-4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
PubChem CID10200635
Molecular FormulaC16H15F5N2O2S
Molecular Weight394.37 g/mol
Exact Mass394.08
IUPAC Name1-cyclopentyl-5-(3,5-difluoro-4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
SMILESCS(=O)(=O)c1c(F)cc(-c2cc(C(F)(F)F)nn2C2CCCC2)cc1F
InChIInChI=1S/C16H15F5N2O2S/c1-26(24,25)15-11(17)6-9(7-12(15)18)13-8-14(16(19,20)21)22-23(13)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyAMJQQPFBFOWWPG-UHFFFAOYSA-N
XLogP4.37
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentyl-5-(3,5-difluoro-4-methylsulfonylphenyl)-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 1-cyclopentyl-5-(3,5-difluoro-4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-cyclopentyl-5-(3,5-difluoro-4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole (CID 10200635) is 1-cyclopentyl-5-(3,5-difluoro-4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-cyclopentyl-5-(3,5-difluoro-4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-cyclopentyl-5-(3,5-difluoro-4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole is CS(=O)(=O)c1c(F)cc(-c2cc(C(F)(F)F)nn2C2CCCC2)cc1F.
What is the InChIKey of 1-cyclopentyl-5-(3,5-difluoro-4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is AMJQQPFBFOWWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F5N2O2S/c1-26(24,25)15-11(17)6-9(7-12(15)18)13-8-14(16(19,20)21)22-23(13)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3.
What are the key properties of 1-cyclopentyl-5-(3,5-difluoro-4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole?
1-cyclopentyl-5-(3,5-difluoro-4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 394.37 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-(3,5-difluoro-4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 10200635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).