[5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol

C6H7F3N2O2 — CID 14969645

IUPAC[5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
SMILESOCc1[nH]nc(C(F)(F)F)c1CO
InChIInChI=1S/C6H7F3N2O2/c7-6(8,9)5-3(1-12)4(2-13)10-11-5/h12-13H,1-2H2,(H,10,11)
InChIKeyZKCRSPUFKFJUNM-UHFFFAOYSA-N
MW196.13 g/mol
LogP0.41
Rot. Bonds2

About [5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol

[5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol (PubChem CID 14969645) has the molecular formula C6H7F3N2O2 and a molecular weight of 196.13 g/mol. Its IUPAC name is [5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
PubChem CID14969645
Molecular FormulaC6H7F3N2O2
Molecular Weight196.13 g/mol
Exact Mass196.05
IUPAC Name[5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
SMILESOCc1[nH]nc(C(F)(F)F)c1CO
InChIInChI=1S/C6H7F3N2O2/c7-6(8,9)5-3(1-12)4(2-13)10-11-5/h12-13H,1-2H2,(H,10,11)
InChIKeyZKCRSPUFKFJUNM-UHFFFAOYSA-N
XLogP0.41
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.13
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
CID 10877483
(4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methanol
CID 122163750
(3,4-Dimethyl-1H-pyrazol-5-yl)methanol
CID 18401729
(3,5-dimethyl-1H-pyrazol-4-yl)methanol
CID 21276554
[3-(difluoromethyl)-1H-pyrazol-5-yl]methanol
CID 99990010
2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)ethan-1-ol
CID 55267984
(4-Chloro-5-trifluoromethyl-2H-pyrazol-3-yl)-methanol
CID 57840545
[5-(propan-2-yloxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
CID 66718612
[5-(fluoromethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
CID 69928354
[4-bromo-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
CID 70967739
(4-fluoro-5-methyl-1H-pyrazol-3-yl)methanol
CID 89147280
[4-fluoro-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
CID 117670216

Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol (CID 14969645) is [5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol is OCc1[nH]nc(C(F)(F)F)c1CO.
What is the InChIKey of [5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The InChIKey is ZKCRSPUFKFJUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O2/c7-6(8,9)5-3(1-12)4(2-13)10-11-5/h12-13H,1-2H2,(H,10,11).
What are the key properties of [5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
[5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol has a molecular weight of 196.13 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 14969645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).