2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol

C14H17FN2O — CID 55068043

IUPAC2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol
SMILESCCn1cc(CC(O)c2cc(F)ccc2C)cn1
InChIInChI=1S/C14H17FN2O/c1-3-17-9-11(8-16-17)6-14(18)13-7-12(15)5-4-10(13)2/h4-5,7-9,14,18H,3,6H2,1-2H3
InChIKeyVHFITDVPSJPDFM-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.63
Rot. Bonds4

About 2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol

2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol (PubChem CID 55068043) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol
PubChem CID55068043
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol
SMILESCCn1cc(CC(O)c2cc(F)ccc2C)cn1
InChIInChI=1S/C14H17FN2O/c1-3-17-9-11(8-16-17)6-14(18)13-7-12(15)5-4-10(13)2/h4-5,7-9,14,18H,3,6H2,1-2H3
InChIKeyVHFITDVPSJPDFM-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol (CID 55068043) is 2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol is CCn1cc(CC(O)c2cc(F)ccc2C)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol?
The InChIKey is VHFITDVPSJPDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-3-17-9-11(8-16-17)6-14(18)13-7-12(15)5-4-10(13)2/h4-5,7-9,14,18H,3,6H2,1-2H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol?
2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol has a molecular weight of 248.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 55068043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).