1,3-diphenyl-5-(trifluoromethylsulfanylmethyl)pyrazole

C17H13F3N2S — CID 14149012

IUPAC1,3-diphenyl-5-(trifluoromethylsulfanylmethyl)pyrazole
SMILESFC(F)(F)SCc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H13F3N2S/c18-17(19,20)23-12-15-11-16(13-7-3-1-4-8-13)21-22(15)14-9-5-2-6-10-14/h1-11H,12H2
InChIKeyUWEWGIBATYYXQA-UHFFFAOYSA-N
MW334.37 g/mol
LogP5.29
Rot. Bonds4

About 1,3-diphenyl-5-(trifluoromethylsulfanylmethyl)pyrazole

1,3-diphenyl-5-(trifluoromethylsulfanylmethyl)pyrazole (PubChem CID 14149012) has the molecular formula C17H13F3N2S and a molecular weight of 334.37 g/mol. Its IUPAC name is 1,3-diphenyl-5-(trifluoromethylsulfanylmethyl)pyrazole.

Molecular Properties

Compound Name1,3-diphenyl-5-(trifluoromethylsulfanylmethyl)pyrazole
PubChem CID14149012
Molecular FormulaC17H13F3N2S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name1,3-diphenyl-5-(trifluoromethylsulfanylmethyl)pyrazole
SMILESFC(F)(F)SCc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H13F3N2S/c18-17(19,20)23-12-15-11-16(13-7-3-1-4-8-13)21-22(15)14-9-5-2-6-10-14/h1-11H,12H2
InChIKeyUWEWGIBATYYXQA-UHFFFAOYSA-N
XLogP5.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.37
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-diphenyl-5-(trifluoromethylsulfanylmethyl)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 1,3-diphenyl-5-(trifluoromethylsulfanylmethyl)pyrazole?
The IUPAC name of 1,3-diphenyl-5-(trifluoromethylsulfanylmethyl)pyrazole (CID 14149012) is 1,3-diphenyl-5-(trifluoromethylsulfanylmethyl)pyrazole.
What is the SMILES notation for 1,3-diphenyl-5-(trifluoromethylsulfanylmethyl)pyrazole?
The canonical SMILES for 1,3-diphenyl-5-(trifluoromethylsulfanylmethyl)pyrazole is FC(F)(F)SCc1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 1,3-diphenyl-5-(trifluoromethylsulfanylmethyl)pyrazole?
The InChIKey is UWEWGIBATYYXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2S/c18-17(19,20)23-12-15-11-16(13-7-3-1-4-8-13)21-22(15)14-9-5-2-6-10-14/h1-11H,12H2.
What are the key properties of 1,3-diphenyl-5-(trifluoromethylsulfanylmethyl)pyrazole?
1,3-diphenyl-5-(trifluoromethylsulfanylmethyl)pyrazole has a molecular weight of 334.37 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-5-(trifluoromethylsulfanylmethyl)pyrazole is sourced from PubChem (CID 14149012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).