2-[1-[2-(2-fluorophenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]ethanol

C15H19FN2O2 — CID 75522129

IUPAC2-[1-[2-(2-fluorophenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]ethanol
SMILESCc1nn(CCOc2ccccc2F)c(C)c1CCO
InChIInChI=1S/C15H19FN2O2/c1-11-13(7-9-19)12(2)18(17-11)8-10-20-15-6-4-3-5-14(15)16/h3-6,19H,7-10H2,1-2H3
InChIKeyKWDFASOXJSQROI-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.25
Rot. Bonds6

About 2-[1-[2-(2-fluorophenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]ethanol

2-[1-[2-(2-fluorophenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]ethanol (PubChem CID 75522129) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[1-[2-(2-fluorophenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(2-fluorophenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]ethanol
PubChem CID75522129
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name2-[1-[2-(2-fluorophenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]ethanol
SMILESCc1nn(CCOc2ccccc2F)c(C)c1CCO
InChIInChI=1S/C15H19FN2O2/c1-11-13(7-9-19)12(2)18(17-11)8-10-20-15-6-4-3-5-14(15)16/h3-6,19H,7-10H2,1-2H3
InChIKeyKWDFASOXJSQROI-UHFFFAOYSA-N
XLogP2.25
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-fluorophenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-[2-(2-fluorophenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]ethanol (CID 75522129) is 2-[1-[2-(2-fluorophenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(2-fluorophenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[2-(2-fluorophenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]ethanol is Cc1nn(CCOc2ccccc2F)c(C)c1CCO.
What is the InChIKey of 2-[1-[2-(2-fluorophenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]ethanol?
The InChIKey is KWDFASOXJSQROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-11-13(7-9-19)12(2)18(17-11)8-10-20-15-6-4-3-5-14(15)16/h3-6,19H,7-10H2,1-2H3.
What are the key properties of 2-[1-[2-(2-fluorophenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]ethanol?
2-[1-[2-(2-fluorophenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]ethanol has a molecular weight of 278.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-fluorophenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]ethanol is sourced from PubChem (CID 75522129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).