1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol

C13H15FN2O — CID 63975289

IUPAC1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol
SMILESCCn1nccc1C(O)Cc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O/c1-2-16-12(7-8-15-16)13(17)9-10-3-5-11(14)6-4-10/h3-8,13,17H,2,9H2,1H3
InChIKeyFZFSSROAJGDWPT-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.32
Rot. Bonds4

About 1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol

1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol (PubChem CID 63975289) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol
PubChem CID63975289
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol
SMILESCCn1nccc1C(O)Cc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O/c1-2-16-12(7-8-15-16)13(17)9-10-3-5-11(14)6-4-10/h3-8,13,17H,2,9H2,1H3
InChIKeyFZFSSROAJGDWPT-UHFFFAOYSA-N
XLogP2.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanamine
CID 63974244
1-(2-ethylpyrazol-3-yl)-2-(2-fluorophenyl)ethanol
CID 63977415
1-(2-ethylpyrazol-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 114556790
2-(2-amino-4-pyridinyl)-1-(2-ethylpyrazol-3-yl)ethanol
CID 114556816
2-(dimethylamino)-1-(2-ethylpyrazol-3-yl)ethanol
CID 79087393
(2-ethylpyrazol-3-yl)-(4-fluoro-2-methylphenyl)methanol
CID 63976113
1-(2-ethylpyrazol-3-yl)-2-propylsulfanylethanol
CID 65129474
1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol
CID 115622254
(2-ethylpyrazol-3-yl)-(3-fluorophenyl)methanol
CID 63975475
2-chloro-1-(2-ethylpyrazol-3-yl)-2,2-difluoroethanol
CID 112575208
(2-ethylpyrazol-3-yl)-(4-propylphenyl)methanol
CID 114556918
(3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
CID 66424235

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol (CID 63975289) is 1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol is CCn1nccc1C(O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol?
The InChIKey is FZFSSROAJGDWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-2-16-12(7-8-15-16)13(17)9-10-3-5-11(14)6-4-10/h3-8,13,17H,2,9H2,1H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol?
1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol has a molecular weight of 234.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 63975289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).