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

C5H5F3N2O — CID 23149202

IUPAC[3-(trifluoromethyl)pyrazol-1-yl]methanol
SMILESOCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)4-1-2-10(3-11)9-4/h1-2,11H,3H2
InChIKeyCJMQSELCTCNSHC-UHFFFAOYSA-N
MW166.10 g/mol
LogP0.85
Rot. Bonds1

About [3-(trifluoromethyl)pyrazol-1-yl]methanol

[3-(trifluoromethyl)pyrazol-1-yl]methanol (PubChem CID 23149202) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is [3-(trifluoromethyl)pyrazol-1-yl]methanol.

Molecular Properties

Compound Name[3-(trifluoromethyl)pyrazol-1-yl]methanol
PubChem CID23149202
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name[3-(trifluoromethyl)pyrazol-1-yl]methanol
SMILESOCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)4-1-2-10(3-11)9-4/h1-2,11H,3H2
InChIKeyCJMQSELCTCNSHC-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 [3-(trifluoromethyl)pyrazol-1-yl]methanol?
The IUPAC name of [3-(trifluoromethyl)pyrazol-1-yl]methanol (CID 23149202) is [3-(trifluoromethyl)pyrazol-1-yl]methanol.
What is the SMILES notation for [3-(trifluoromethyl)pyrazol-1-yl]methanol?
The canonical SMILES for [3-(trifluoromethyl)pyrazol-1-yl]methanol is OCn1ccc(C(F)(F)F)n1.
What is the InChIKey of [3-(trifluoromethyl)pyrazol-1-yl]methanol?
The InChIKey is CJMQSELCTCNSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c6-5(7,8)4-1-2-10(3-11)9-4/h1-2,11H,3H2.
What are the key properties of [3-(trifluoromethyl)pyrazol-1-yl]methanol?
[3-(trifluoromethyl)pyrazol-1-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 [3-(trifluoromethyl)pyrazol-1-yl]methanol is sourced from PubChem (CID 23149202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).