2-[1-(3-fluorophenyl)pyrazol-3-yl]ethanol

C11H11FN2O — CID 116818219

IUPAC2-[1-(3-fluorophenyl)pyrazol-3-yl]ethanol
SMILESOCCc1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C11H11FN2O/c12-9-2-1-3-11(8-9)14-6-4-10(13-14)5-7-15/h1-4,6,8,15H,5,7H2
InChIKeyDPKLGGBUSAAYOB-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.55
Rot. Bonds3

About 2-[1-(3-fluorophenyl)pyrazol-3-yl]ethanol

2-[1-(3-fluorophenyl)pyrazol-3-yl]ethanol (PubChem CID 116818219) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)pyrazol-3-yl]ethanol
PubChem CID116818219
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name2-[1-(3-fluorophenyl)pyrazol-3-yl]ethanol
SMILESOCCc1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C11H11FN2O/c12-9-2-1-3-11(8-9)14-6-4-10(13-14)5-7-15/h1-4,6,8,15H,5,7H2
InChIKeyDPKLGGBUSAAYOB-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]propan-2-ol
CID 95333559
3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122234
1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole
CID 66016332
1-(3-fluorophenyl)pyrazole-3-carbaldehyde
CID 115017997
1-(3-fluorophenyl)-3-propan-2-ylpyrazole
CID 66016724
N-[2-[1-(3-fluorophenyl)pyrazol-3-yl]ethyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 75370539
[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol
CID 84617796
[4-bromo-1-(3-fluorophenyl)pyrazol-3-yl]methanol
CID 116818765
prop-2-enyl 1-(3-fluorophenyl)pyrazole-3-carboxylate
CID 86846505
1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione
CID 52810636
3-[1-(3,4-difluorophenyl)pyrazol-3-yl]propanoic acid
CID 116818186
2-[1-(3-chlorophenyl)pyrazol-3-yl]-N-methylethanamine
CID 116818134

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)pyrazol-3-yl]ethanol?
The IUPAC name of 2-[1-(3-fluorophenyl)pyrazol-3-yl]ethanol (CID 116818219) is 2-[1-(3-fluorophenyl)pyrazol-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-fluorophenyl)pyrazol-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-fluorophenyl)pyrazol-3-yl]ethanol is OCCc1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of 2-[1-(3-fluorophenyl)pyrazol-3-yl]ethanol?
The InChIKey is DPKLGGBUSAAYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-9-2-1-3-11(8-9)14-6-4-10(13-14)5-7-15/h1-4,6,8,15H,5,7H2.
What are the key properties of 2-[1-(3-fluorophenyl)pyrazol-3-yl]ethanol?
2-[1-(3-fluorophenyl)pyrazol-3-yl]ethanol has a molecular weight of 206.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)pyrazol-3-yl]ethanol is sourced from PubChem (CID 116818219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).