1-phenyl-4-(trifluoromethyl)pyrazole

C10H7F3N2 — CID 11769788

IUPAC1-phenyl-4-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C10H7F3N2/c11-10(12,13)8-6-14-15(7-8)9-4-2-1-3-5-9/h1-7H
InChIKeyHYMWWLMLKJNRNC-UHFFFAOYSA-N
MW212.17 g/mol
LogP2.89
Rot. Bonds1

About 1-phenyl-4-(trifluoromethyl)pyrazole

1-phenyl-4-(trifluoromethyl)pyrazole (PubChem CID 11769788) has the molecular formula C10H7F3N2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 1-phenyl-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-phenyl-4-(trifluoromethyl)pyrazole
PubChem CID11769788
Molecular FormulaC10H7F3N2
Molecular Weight212.17 g/mol
Exact Mass212.06
IUPAC Name1-phenyl-4-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C10H7F3N2/c11-10(12,13)8-6-14-15(7-8)9-4-2-1-3-5-9/h1-7H
InChIKeyHYMWWLMLKJNRNC-UHFFFAOYSA-N
XLogP2.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-phenyl-4-(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-phenyl-4-(trifluoromethyl)pyrazole?
The IUPAC name of 1-phenyl-4-(trifluoromethyl)pyrazole (CID 11769788) is 1-phenyl-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-phenyl-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-phenyl-4-(trifluoromethyl)pyrazole is FC(F)(F)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-4-(trifluoromethyl)pyrazole?
The InChIKey is HYMWWLMLKJNRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2/c11-10(12,13)8-6-14-15(7-8)9-4-2-1-3-5-9/h1-7H.
What are the key properties of 1-phenyl-4-(trifluoromethyl)pyrazole?
1-phenyl-4-(trifluoromethyl)pyrazole has a molecular weight of 212.17 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 11769788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).