3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol

C11H11F3N2O2 — CID 2918905

IUPAC3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
SMILESCc1ccc(O)c(C2=NNC(O)(C(F)(F)F)C2)c1
InChIInChI=1S/C11H11F3N2O2/c1-6-2-3-9(17)7(4-6)8-5-10(18,16-15-8)11(12,13)14/h2-4,16-18H,5H2,1H3
InChIKeyWSNWPDSRWSLLFS-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.65
Rot. Bonds1

About 3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol

3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol (PubChem CID 2918905) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol.

Molecular Properties

Compound Name3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
PubChem CID2918905
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
SMILESCc1ccc(O)c(C2=NNC(O)(C(F)(F)F)C2)c1
InChIInChI=1S/C11H11F3N2O2/c1-6-2-3-9(17)7(4-6)8-5-10(18,16-15-8)11(12,13)14/h2-4,16-18H,5H2,1H3
InChIKeyWSNWPDSRWSLLFS-UHFFFAOYSA-N
XLogP1.65
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

Analyze 3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-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 3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol?
The IUPAC name of 3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol (CID 2918905) is 3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol.
What is the SMILES notation for 3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol?
The canonical SMILES for 3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol is Cc1ccc(O)c(C2=NNC(O)(C(F)(F)F)C2)c1.
What is the InChIKey of 3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol?
The InChIKey is WSNWPDSRWSLLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-6-2-3-9(17)7(4-6)8-5-10(18,16-15-8)11(12,13)14/h2-4,16-18H,5H2,1H3.
What are the key properties of 3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol?
3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol has a molecular weight of 260.21 g/mol, XLogP of 1.65, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol is sourced from PubChem (CID 2918905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).