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

C16H11F3N2 — CID 10424186

IUPAC1,5-diphenyl-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C16H11F3N2/c17-16(18,19)15-11-14(12-7-3-1-4-8-12)21(20-15)13-9-5-2-6-10-13/h1-11H
InChIKeyQSQASSUNYGTMLF-UHFFFAOYSA-N
MW288.27 g/mol
LogP4.56
Rot. Bonds2

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

1,5-diphenyl-3-(trifluoromethyl)pyrazole (PubChem CID 10424186) has the molecular formula C16H11F3N2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 1,5-diphenyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1,5-diphenyl-3-(trifluoromethyl)pyrazole
PubChem CID10424186
Molecular FormulaC16H11F3N2
Molecular Weight288.27 g/mol
Exact Mass288.09
IUPAC Name1,5-diphenyl-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C16H11F3N2/c17-16(18,19)15-11-14(12-7-3-1-4-8-12)21(20-15)13-9-5-2-6-10-13/h1-11H
InChIKeyQSQASSUNYGTMLF-UHFFFAOYSA-N
XLogP4.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1,5-diphenyl-3-(trifluoromethyl)pyrazole (CID 10424186) is 1,5-diphenyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1,5-diphenyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1,5-diphenyl-3-(trifluoromethyl)pyrazole is FC(F)(F)c1cc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 1,5-diphenyl-3-(trifluoromethyl)pyrazole?
The InChIKey is QSQASSUNYGTMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2/c17-16(18,19)15-11-14(12-7-3-1-4-8-12)21(20-15)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 1,5-diphenyl-3-(trifluoromethyl)pyrazole?
1,5-diphenyl-3-(trifluoromethyl)pyrazole has a molecular weight of 288.27 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 10424186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).