1-phenyl-3-(trifluoromethyl)pyrazol-4-ol

C10H7F3N2O — CID 848526

IUPAC1-phenyl-3-(trifluoromethyl)pyrazol-4-ol
SMILESOc1cn(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)9-8(16)6-15(14-9)7-4-2-1-3-5-7/h1-6,16H
InChIKeyZHCWJNLQJDKCMO-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.60
Rot. Bonds1

About 1-phenyl-3-(trifluoromethyl)pyrazol-4-ol

1-phenyl-3-(trifluoromethyl)pyrazol-4-ol (PubChem CID 848526) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 1-phenyl-3-(trifluoromethyl)pyrazol-4-ol.

Molecular Properties

Compound Name1-phenyl-3-(trifluoromethyl)pyrazol-4-ol
PubChem CID848526
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name1-phenyl-3-(trifluoromethyl)pyrazol-4-ol
SMILESOc1cn(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)9-8(16)6-15(14-9)7-4-2-1-3-5-7/h1-6,16H
InChIKeyZHCWJNLQJDKCMO-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-3-(trifluoromethyl)pyrazol-4-ol 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-3-(trifluoromethyl)pyrazol-4-ol?
The IUPAC name of 1-phenyl-3-(trifluoromethyl)pyrazol-4-ol (CID 848526) is 1-phenyl-3-(trifluoromethyl)pyrazol-4-ol.
What is the SMILES notation for 1-phenyl-3-(trifluoromethyl)pyrazol-4-ol?
The canonical SMILES for 1-phenyl-3-(trifluoromethyl)pyrazol-4-ol is Oc1cn(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of 1-phenyl-3-(trifluoromethyl)pyrazol-4-ol?
The InChIKey is ZHCWJNLQJDKCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)9-8(16)6-15(14-9)7-4-2-1-3-5-7/h1-6,16H.
What are the key properties of 1-phenyl-3-(trifluoromethyl)pyrazol-4-ol?
1-phenyl-3-(trifluoromethyl)pyrazol-4-ol has a molecular weight of 228.17 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(trifluoromethyl)pyrazol-4-ol is sourced from PubChem (CID 848526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).