1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1-phenylethanol

C13H13F3N2O — CID 102385483

IUPAC1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1-phenylethanol
SMILESCn1ncc(C(F)(F)F)c1C(C)(O)c1ccccc1
InChIInChI=1S/C13H13F3N2O/c1-12(19,9-6-4-3-5-7-9)11-10(13(14,15)16)8-17-18(11)2/h3-8,19H,1-2H3
InChIKeyHVBULXLSGYDPDL-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.69
Rot. Bonds2

About 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1-phenylethanol

1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1-phenylethanol (PubChem CID 102385483) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1-phenylethanol.

Molecular Properties

Compound Name1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1-phenylethanol
PubChem CID102385483
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1-phenylethanol
SMILESCn1ncc(C(F)(F)F)c1C(C)(O)c1ccccc1
InChIInChI=1S/C13H13F3N2O/c1-12(19,9-6-4-3-5-7-9)11-10(13(14,15)16)8-17-18(11)2/h3-8,19H,1-2H3
InChIKeyHVBULXLSGYDPDL-UHFFFAOYSA-N
XLogP2.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
CID 2795476
4-[5-(Hydroxymethyl)-1-methylpyrazol-4-yl]benzonitrile
CID 145962664
(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-3-pyrrolidin-1-ylpiperidin-4-ol
CID 87053365
{2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol
CID 24229659
(1-Methyl-5-phenyl-1H-pyrazol-3-yl)methanol
CID 14354447
3-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl]propanenitrile
CID 2068133
2,4-difluoro-6-(1-methyl-1H-pyrazol-5-yl)phenol
CID 2804884
1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenylpropan-2-ol
CID 3259972
1-(3-Fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol
CID 51104368
1-Methyl-3-phenyl-1H-pyrazole-5-methanol
CID 7537632
(3R,4R)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenyl-3-(1-pyrrolidinyl)hexahydro-4-pyridinol
CID 87053364
(1-Methyl-3-phenyl-1H-pyrazol-4-YL)methanol
CID 40427074

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1-phenylethanol?
The IUPAC name of 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1-phenylethanol (CID 102385483) is 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1-phenylethanol.
What is the SMILES notation for 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1-phenylethanol?
The canonical SMILES for 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1-phenylethanol is Cn1ncc(C(F)(F)F)c1C(C)(O)c1ccccc1.
What is the InChIKey of 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1-phenylethanol?
The InChIKey is HVBULXLSGYDPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-12(19,9-6-4-3-5-7-9)11-10(13(14,15)16)8-17-18(11)2/h3-8,19H,1-2H3.
What are the key properties of 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1-phenylethanol?
1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1-phenylethanol has a molecular weight of 270.25 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1-phenylethanol is sourced from PubChem (CID 102385483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).