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

C11H9F3N2O — CID 25067326

IUPAC[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)10-8(7-17)6-15-16(10)9-4-2-1-3-5-9/h1-6,17H,7H2
InChIKeyMKCVZJGVLCKGLS-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.38
Rot. Bonds2

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

[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 25067326) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is [1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID25067326
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)10-8(7-17)6-15-16(10)9-4-2-1-3-5-9/h1-6,17H,7H2
InChIKeyMKCVZJGVLCKGLS-UHFFFAOYSA-N
XLogP2.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 688699
(3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 752098
(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
CID 2795476
(1-phenyl-1H-pyrazol-4-yl)methanol
CID 822983
2-(1-phenyl-1H-pyrazol-5-yl)ethan-1-ol
CID 59410573
5-Methyl-1-phenyl-1H-pyrazole-4-methanol
CID 2776440
[1-(4-Fluorophenyl)-5-Methyl-1H-Pyrazol-4-Yl]Methanol
CID 2780717
(1,3-Diphenyl-1h-pyrazol-4-yl)-methanol
CID 740175
(1-(4-Methylphenyl)-3-phenyl-1H-pyrazol-4-YL)methanol
CID 3859567
2,2,2-trifluoro-1-(1-phenyl-1H-pyrazol-4-yl)ethan-1-ol
CID 54978509
(1S)-1-(1-phenyl-1H-pyrazol-4-yl)ethan-1-ol
CID 71756185
1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 14968245

Frequently Asked Questions

What is the IUPAC name of [1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanol (CID 25067326) is [1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanol is OCc1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of [1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is MKCVZJGVLCKGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)10-8(7-17)6-15-16(10)9-4-2-1-3-5-9/h1-6,17H,7H2.
What are the key properties of [1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanol?
[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 242.20 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 25067326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).