[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenyl]methanol

C12H12F2N2O — CID 171392247

IUPAC[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenyl]methanol
SMILESCc1cc(-c2cnn(C(F)F)c2)ccc1CO
InChIInChI=1S/C12H12F2N2O/c1-8-4-9(2-3-10(8)7-17)11-5-15-16(6-11)12(13)14/h2-6,12,17H,7H2,1H3
InChIKeySQNNXLXNDFITDE-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.75
Rot. Bonds3

About [4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenyl]methanol

[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenyl]methanol (PubChem CID 171392247) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is [4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenyl]methanol.

Molecular Properties

Compound Name[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenyl]methanol
PubChem CID171392247
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenyl]methanol
SMILESCc1cc(-c2cnn(C(F)F)c2)ccc1CO
InChIInChI=1S/C12H12F2N2O/c1-8-4-9(2-3-10(8)7-17)11-5-15-16(6-11)12(13)14/h2-6,12,17H,7H2,1H3
InChIKeySQNNXLXNDFITDE-UHFFFAOYSA-N
XLogP2.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenyl]methanol 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 [4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenyl]methanol?
The IUPAC name of [4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenyl]methanol (CID 171392247) is [4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenyl]methanol.
What is the SMILES notation for [4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenyl]methanol?
The canonical SMILES for [4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenyl]methanol is Cc1cc(-c2cnn(C(F)F)c2)ccc1CO.
What is the InChIKey of [4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenyl]methanol?
The InChIKey is SQNNXLXNDFITDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-8-4-9(2-3-10(8)7-17)11-5-15-16(6-11)12(13)14/h2-6,12,17H,7H2,1H3.
What are the key properties of [4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenyl]methanol?
[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenyl]methanol has a molecular weight of 238.24 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylphenyl]methanol is sourced from PubChem (CID 171392247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).