1-[1-(3-fluorophenyl)-4-phenylpyrazol-3-yl]ethanol

C17H15FN2O — CID 91043375

IUPAC1-[1-(3-fluorophenyl)-4-phenylpyrazol-3-yl]ethanol
SMILESCC(O)c1nn(-c2cccc(F)c2)cc1-c1ccccc1
InChIInChI=1S/C17H15FN2O/c1-12(21)17-16(13-6-3-2-4-7-13)11-20(19-17)15-9-5-8-14(18)10-15/h2-12,21H,1H3
InChIKeyBAHQCAVZNSGMMD-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.73
Rot. Bonds3

About 1-[1-(3-fluorophenyl)-4-phenylpyrazol-3-yl]ethanol

1-[1-(3-fluorophenyl)-4-phenylpyrazol-3-yl]ethanol (PubChem CID 91043375) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)-4-phenylpyrazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)-4-phenylpyrazol-3-yl]ethanol
PubChem CID91043375
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name1-[1-(3-fluorophenyl)-4-phenylpyrazol-3-yl]ethanol
SMILESCC(O)c1nn(-c2cccc(F)c2)cc1-c1ccccc1
InChIInChI=1S/C17H15FN2O/c1-12(21)17-16(13-6-3-2-4-7-13)11-20(19-17)15-9-5-8-14(18)10-15/h2-12,21H,1H3
InChIKeyBAHQCAVZNSGMMD-UHFFFAOYSA-N
XLogP3.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)-4-phenylpyrazol-3-yl]ethanol?
The IUPAC name of 1-[1-(3-fluorophenyl)-4-phenylpyrazol-3-yl]ethanol (CID 91043375) is 1-[1-(3-fluorophenyl)-4-phenylpyrazol-3-yl]ethanol.
What is the SMILES notation for 1-[1-(3-fluorophenyl)-4-phenylpyrazol-3-yl]ethanol?
The canonical SMILES for 1-[1-(3-fluorophenyl)-4-phenylpyrazol-3-yl]ethanol is CC(O)c1nn(-c2cccc(F)c2)cc1-c1ccccc1.
What is the InChIKey of 1-[1-(3-fluorophenyl)-4-phenylpyrazol-3-yl]ethanol?
The InChIKey is BAHQCAVZNSGMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-12(21)17-16(13-6-3-2-4-7-13)11-20(19-17)15-9-5-8-14(18)10-15/h2-12,21H,1H3.
What are the key properties of 1-[1-(3-fluorophenyl)-4-phenylpyrazol-3-yl]ethanol?
1-[1-(3-fluorophenyl)-4-phenylpyrazol-3-yl]ethanol has a molecular weight of 282.32 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)-4-phenylpyrazol-3-yl]ethanol is sourced from PubChem (CID 91043375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).