1-[2-(2-fluorophenyl)ethyl]pyrazol-4-ol

C11H11FN2O — CID 118871164

IUPAC1-[2-(2-fluorophenyl)ethyl]pyrazol-4-ol
SMILESOc1cnn(CCc2ccccc2F)c1
InChIInChI=1S/C11H11FN2O/c12-11-4-2-1-3-9(11)5-6-14-8-10(15)7-13-14/h1-4,7-8,15H,5-6H2
InChIKeyXYOAOVYTWGEJKX-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.97
Rot. Bonds3

About 1-[2-(2-fluorophenyl)ethyl]pyrazol-4-ol

1-[2-(2-fluorophenyl)ethyl]pyrazol-4-ol (PubChem CID 118871164) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]pyrazol-4-ol.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]pyrazol-4-ol
PubChem CID118871164
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name1-[2-(2-fluorophenyl)ethyl]pyrazol-4-ol
SMILESOc1cnn(CCc2ccccc2F)c1
InChIInChI=1S/C11H11FN2O/c12-11-4-2-1-3-9(11)5-6-14-8-10(15)7-13-14/h1-4,7-8,15H,5-6H2
InChIKeyXYOAOVYTWGEJKX-UHFFFAOYSA-N
XLogP1.97
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]pyrazol-4-ol?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]pyrazol-4-ol (CID 118871164) is 1-[2-(2-fluorophenyl)ethyl]pyrazol-4-ol.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]pyrazol-4-ol?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]pyrazol-4-ol is Oc1cnn(CCc2ccccc2F)c1.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]pyrazol-4-ol?
The InChIKey is XYOAOVYTWGEJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-11-4-2-1-3-9(11)5-6-14-8-10(15)7-13-14/h1-4,7-8,15H,5-6H2.
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]pyrazol-4-ol?
1-[2-(2-fluorophenyl)ethyl]pyrazol-4-ol has a molecular weight of 206.22 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]pyrazol-4-ol is sourced from PubChem (CID 118871164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).