[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol

C12H11F3N2O — CID 44818671

IUPAC[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol
SMILESCn1nc(-c2ccc(C(F)(F)F)cc2)cc1CO
InChIInChI=1S/C12H11F3N2O/c1-17-10(7-18)6-11(16-17)8-2-4-9(5-3-8)12(13,14)15/h2-6,18H,7H2,1H3
InChIKeyQOFNWGFKSVNBTA-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.60
Rot. Bonds2

About [1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol

[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol (PubChem CID 44818671) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is [1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol
PubChem CID44818671
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol
SMILESCn1nc(-c2ccc(C(F)(F)F)cc2)cc1CO
InChIInChI=1S/C12H11F3N2O/c1-17-10(7-18)6-11(16-17)8-2-4-9(5-3-8)12(13,14)15/h2-6,18H,7H2,1H3
InChIKeyQOFNWGFKSVNBTA-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]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 [1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
The IUPAC name of [1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol (CID 44818671) is [1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol.
What is the SMILES notation for [1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
The canonical SMILES for [1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol is Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1CO.
What is the InChIKey of [1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
The InChIKey is QOFNWGFKSVNBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-17-10(7-18)6-11(16-17)8-2-4-9(5-3-8)12(13,14)15/h2-6,18H,7H2,1H3.
What are the key properties of [1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol has a molecular weight of 256.23 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol is sourced from PubChem (CID 44818671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).