1-(4-phenoxyphenyl)-3-(trifluoromethyl)pyrazole

C16H11F3N2O — CID 142641849

IUPAC1-(4-phenoxyphenyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)15-10-11-21(20-15)12-6-8-14(9-7-12)22-13-4-2-1-3-5-13/h1-11H
InChIKeyYOHCBEUNINGYHT-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.68
Rot. Bonds3

About 1-(4-phenoxyphenyl)-3-(trifluoromethyl)pyrazole

1-(4-phenoxyphenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 142641849) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-3-(trifluoromethyl)pyrazole
PubChem CID142641849
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name1-(4-phenoxyphenyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)15-10-11-21(20-15)12-6-8-14(9-7-12)22-13-4-2-1-3-5-13/h1-11H
InChIKeyYOHCBEUNINGYHT-UHFFFAOYSA-N
XLogP4.68
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-phenoxyphenyl)-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-(4-phenoxyphenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(4-phenoxyphenyl)-3-(trifluoromethyl)pyrazole (CID 142641849) is 1-(4-phenoxyphenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(4-phenoxyphenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(4-phenoxyphenyl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1ccn(-c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 1-(4-phenoxyphenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is YOHCBEUNINGYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)15-10-11-21(20-15)12-6-8-14(9-7-12)22-13-4-2-1-3-5-13/h1-11H.
What are the key properties of 1-(4-phenoxyphenyl)-3-(trifluoromethyl)pyrazole?
1-(4-phenoxyphenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 304.27 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 142641849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).