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

C5H5F3N2O — CID 99982808

IUPAC[1-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(C(F)(F)F)c1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)10-2-4(3-11)1-9-10/h1-2,11H,3H2
InChIKeyKHQNLZSFRHBBBS-UHFFFAOYSA-N
MW166.10 g/mol
LogP0.85
Rot. Bonds1

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

[1-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 99982808) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is [1-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID99982808
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name[1-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(C(F)(F)F)c1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)10-2-4(3-11)1-9-10/h1-2,11H,3H2
InChIKeyKHQNLZSFRHBBBS-UHFFFAOYSA-N
XLogP0.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(trifluoromethyl)pyrazol-4-yl]methanol (CID 99982808) is [1-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(trifluoromethyl)pyrazol-4-yl]methanol is OCc1cnn(C(F)(F)F)c1.
What is the InChIKey of [1-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is KHQNLZSFRHBBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c6-5(7,8)10-2-4(3-11)1-9-10/h1-2,11H,3H2.
What are the key properties of [1-(trifluoromethyl)pyrazol-4-yl]methanol?
[1-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 166.10 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 99982808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).