5-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole

C16H11F3N2O — CID 22718093

IUPAC5-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole
SMILESFC(F)(F)c1ccc(Oc2ccc(-c3ccn[nH]3)cc2)cc1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)12-3-7-14(8-4-12)22-13-5-1-11(2-6-13)15-9-10-20-21-15/h1-10H,(H,20,21)
InChIKeyKKYKMVLTADEDTK-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.89
Rot. Bonds3

About 5-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole

5-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole (PubChem CID 22718093) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 5-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole
PubChem CID22718093
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name5-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole
SMILESFC(F)(F)c1ccc(Oc2ccc(-c3ccn[nH]3)cc2)cc1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)12-3-7-14(8-4-12)22-13-5-1-11(2-6-13)15-9-10-20-21-15/h1-10H,(H,20,21)
InChIKeyKKYKMVLTADEDTK-UHFFFAOYSA-N
XLogP4.89
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1H-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 5-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole?
The IUPAC name of 5-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole (CID 22718093) is 5-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole?
The canonical SMILES for 5-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole is FC(F)(F)c1ccc(Oc2ccc(-c3ccn[nH]3)cc2)cc1.
What is the InChIKey of 5-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole?
The InChIKey is KKYKMVLTADEDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)12-3-7-14(8-4-12)22-13-5-1-11(2-6-13)15-9-10-20-21-15/h1-10H,(H,20,21).
What are the key properties of 5-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole?
5-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole has a molecular weight of 304.27 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole is sourced from PubChem (CID 22718093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).