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

C12H11F3N2O — CID 102385474

IUPAC[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-phenylmethanol
SMILESCn1ncc(C(F)(F)F)c1C(O)c1ccccc1
InChIInChI=1S/C12H11F3N2O/c1-17-10(9(7-16-17)12(13,14)15)11(18)8-5-3-2-4-6-8/h2-7,11,18H,1H3
InChIKeyWTKBFKVONHDVGQ-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.52
Rot. Bonds2

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

[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-phenylmethanol (PubChem CID 102385474) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-phenylmethanol
PubChem CID102385474
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-phenylmethanol
SMILESCn1ncc(C(F)(F)F)c1C(O)c1ccccc1
InChIInChI=1S/C12H11F3N2O/c1-17-10(9(7-16-17)12(13,14)15)11(18)8-5-3-2-4-6-8/h2-7,11,18H,1H3
InChIKeyWTKBFKVONHDVGQ-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cizolirtine
CID 132412
(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
CID 2795476
1-phenyl-2-(1H-pyrazol-1-yl)ethanol
CID 3245641
1-(2,5-Difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol
CID 56781795
[4-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanol
CID 73293373
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-(4-methylphenyl)ethan-1-ol
CID 3511640
4-[5-(Hydroxymethyl)-1-methylpyrazol-4-yl]benzonitrile
CID 145962664
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-phenylethanol
CID 2950529
2-[3-(3,5-Dimethyl-1-pyrazolyl)propylamino]-1-phenylethanol;oxalic acid
CID 2999795
2-[3-(3,5-Dimethylpyrazol-1-yl)azetidin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 56781756
Cizolirtine, (+)-
CID 3037765
(1-Benzyl-5-methyl-1h-pyrazol-4-yl)methanol
CID 66437900

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-phenylmethanol?
The IUPAC name of [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-phenylmethanol (CID 102385474) is [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-phenylmethanol.
What is the SMILES notation for [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-phenylmethanol?
The canonical SMILES for [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-phenylmethanol is Cn1ncc(C(F)(F)F)c1C(O)c1ccccc1.
What is the InChIKey of [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-phenylmethanol?
The InChIKey is WTKBFKVONHDVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-17-10(9(7-16-17)12(13,14)15)11(18)8-5-3-2-4-6-8/h2-7,11,18H,1H3.
What are the key properties of [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-phenylmethanol?
[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-phenylmethanol has a molecular weight of 256.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-phenylmethanol is sourced from PubChem (CID 102385474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).