[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol

C6H7F3N2O — CID 62730368

IUPAC[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)4-11-2-5(3-12)1-10-11/h1-2,12H,3-4H2
InChIKeyUJYFXPDZQGCXPH-UHFFFAOYSA-N
MW180.13 g/mol
LogP0.94
Rot. Bonds2

About [1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol

[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol (PubChem CID 62730368) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol
PubChem CID62730368
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)4-11-2-5(3-12)1-10-11/h1-2,12H,3-4H2
InChIKeyUJYFXPDZQGCXPH-UHFFFAOYSA-N
XLogP0.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methyl-1H-pyrazol-4-yl)methanol
CID 11961423
(1-Isopropyl-1H-pyrazol-4-yl)methanol
CID 23005683
(1-(2-fluoroethyl)-1H-pyrazol-4-yl)methanol
CID 80694002
(5-bromo-1-methyl-1H-pyrazol-4-yl)methanol
CID 84662962
(3-bromo-1-methyl-1H-pyrazol-4-yl)methanol
CID 84719611
(1-cyclopropyl-1H-pyrazol-4-yl)methanol
CID 84762534
[1-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
CID 99982808
(3-iodo-1-methyl-1H-pyrazol-4-yl)methanol
CID 132371576
(1S)-2,2-difluoro-1-(1-pentan-3-ylpyrazol-4-yl)ethanol
CID 137349022
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-ol
CID 54593112
(3-chloro-1-methyl-1H-pyrazol-4-yl)methanol
CID 84716346
(5-fluoro-1-methyl-1H-pyrazol-4-yl)methanol
CID 164664645

Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol (CID 62730368) is [1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol is OCc1cnn(CC(F)(F)F)c1.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol?
The InChIKey is UJYFXPDZQGCXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c7-6(8,9)4-11-2-5(3-12)1-10-11/h1-2,12H,3-4H2.
What are the key properties of [1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol?
[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol has a molecular weight of 180.13 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 62730368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).