2-[3-ethyl-5-methoxy-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol

C15H17F3N2O2 — CID 117123473

IUPAC2-[3-ethyl-5-methoxy-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol
SMILESCCc1nn(-c2ccccc2C(F)(F)F)c(OC)c1CCO
InChIInChI=1S/C15H17F3N2O2/c1-3-12-10(8-9-21)14(22-2)20(19-12)13-7-5-4-6-11(13)15(16,17)18/h4-7,21H,3,8-9H2,1-2H3
InChIKeyIJIFFWBKNLLMAJ-UHFFFAOYSA-N
MW314.31 g/mol
LogP3.00
Rot. Bonds5

About 2-[3-ethyl-5-methoxy-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol

2-[3-ethyl-5-methoxy-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol (PubChem CID 117123473) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 2-[3-ethyl-5-methoxy-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[3-ethyl-5-methoxy-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol
PubChem CID117123473
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name2-[3-ethyl-5-methoxy-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol
SMILESCCc1nn(-c2ccccc2C(F)(F)F)c(OC)c1CCO
InChIInChI=1S/C15H17F3N2O2/c1-3-12-10(8-9-21)14(22-2)20(19-12)13-7-5-4-6-11(13)15(16,17)18/h4-7,21H,3,8-9H2,1-2H3
InChIKeyIJIFFWBKNLLMAJ-UHFFFAOYSA-N
XLogP3.00
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-5-methoxy-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol?
The IUPAC name of 2-[3-ethyl-5-methoxy-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol (CID 117123473) is 2-[3-ethyl-5-methoxy-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[3-ethyl-5-methoxy-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[3-ethyl-5-methoxy-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol is CCc1nn(-c2ccccc2C(F)(F)F)c(OC)c1CCO.
What is the InChIKey of 2-[3-ethyl-5-methoxy-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol?
The InChIKey is IJIFFWBKNLLMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-3-12-10(8-9-21)14(22-2)20(19-12)13-7-5-4-6-11(13)15(16,17)18/h4-7,21H,3,8-9H2,1-2H3.
What are the key properties of 2-[3-ethyl-5-methoxy-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol?
2-[3-ethyl-5-methoxy-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol has a molecular weight of 314.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-5-methoxy-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 117123473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).