[4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol

C13H13F3N2O2 — CID 63320707

IUPAC[4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(OCCn2cccn2)c(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)11-8-10(9-19)2-3-12(11)20-7-6-18-5-1-4-17-18/h1-5,8,19H,6-7,9H2
InChIKeyRGOULKSYXDEOQV-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.47
Rot. Bonds5

About [4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol

[4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol (PubChem CID 63320707) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is [4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol
PubChem CID63320707
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name[4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(OCCn2cccn2)c(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)11-8-10(9-19)2-3-12(11)20-7-6-18-5-1-4-17-18/h1-5,8,19H,6-7,9H2
InChIKeyRGOULKSYXDEOQV-UHFFFAOYSA-N
XLogP2.47
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol (CID 63320707) is [4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol is OCc1ccc(OCCn2cccn2)c(C(F)(F)F)c1.
What is the InChIKey of [4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol?
The InChIKey is RGOULKSYXDEOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c14-13(15,16)11-8-10(9-19)2-3-12(11)20-7-6-18-5-1-4-17-18/h1-5,8,19H,6-7,9H2.
What are the key properties of [4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol?
[4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol has a molecular weight of 286.25 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 63320707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).