[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol

C7H9F3N2O — CID 89395261

IUPAC[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
SMILESCc1cc(CO)n(CC(F)(F)F)n1
InChIInChI=1S/C7H9F3N2O/c1-5-2-6(3-13)12(11-5)4-7(8,9)10/h2,13H,3-4H2,1H3
InChIKeyRROXAFXQAZMTNJ-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.25
Rot. Bonds2

About [5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol

[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol (PubChem CID 89395261) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is [5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
PubChem CID89395261
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
SMILESCc1cc(CO)n(CC(F)(F)F)n1
InChIInChI=1S/C7H9F3N2O/c1-5-2-6(3-13)12(11-5)4-7(8,9)10/h2,13H,3-4H2,1H3
InChIKeyRROXAFXQAZMTNJ-UHFFFAOYSA-N
XLogP1.25
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 259665
(1,3-dimethyl-1H-pyrazol-5-yl)methanol
CID 2776363
(1,5-Dimethyl-1H-Pyrazol-3-Yl)Methanol
CID 2776366
1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-methanol
CID 50896703
(1-(2,2-difluoroethyl)-1H-pyrazol-3-yl)methanol
CID 50896840
(1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)methanol
CID 60136443
(4-Iodo-1,3-dimethyl-1H-pyrazol-5-yl)methanol
CID 71307692
5-(hydroxymethyl)-1-methyl-1H-pyrazole-3-carbonitrile
CID 131545365
2-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]ethanol
CID 19619759
2-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanol
CID 89833798
1-(Difluoromethyl)-1H-pyrazole-5-methanol
CID 50896822
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 63962847

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol?
The IUPAC name of [5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol (CID 89395261) is [5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol?
The canonical SMILES for [5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol is Cc1cc(CO)n(CC(F)(F)F)n1.
What is the InChIKey of [5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol?
The InChIKey is RROXAFXQAZMTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-5-2-6(3-13)12(11-5)4-7(8,9)10/h2,13H,3-4H2,1H3.
What are the key properties of [5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol?
[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol has a molecular weight of 194.16 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 89395261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).