2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol

C13H15FN2O2 — CID 114554076

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol
SMILESCOc1cccc(CC(O)c2ccnn2C)c1F
InChIInChI=1S/C13H15FN2O2/c1-16-10(6-7-15-16)11(17)8-9-4-3-5-12(18-2)13(9)14/h3-7,11,17H,8H2,1-2H3
InChIKeyFCUQAFHSCLCBJZ-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.84
Rot. Bonds4

About 2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol

2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol (PubChem CID 114554076) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol
PubChem CID114554076
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol
SMILESCOc1cccc(CC(O)c2ccnn2C)c1F
InChIInChI=1S/C13H15FN2O2/c1-16-10(6-7-15-16)11(17)8-9-4-3-5-12(18-2)13(9)14/h3-7,11,17H,8H2,1-2H3
InChIKeyFCUQAFHSCLCBJZ-UHFFFAOYSA-N
XLogP1.84
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 114556975
1-(2-ethylpyrazol-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 114556790
N-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105180698
(2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 114554105
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol
CID 104793572
2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554042
2-(2-fluoro-3-methoxyphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 104793189
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylphenyl)ethanol
CID 104793076
2-(2-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 63960769
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 104793243
1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 106695530
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115832717

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol (CID 114554076) is 2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol is COc1cccc(CC(O)c2ccnn2C)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol?
The InChIKey is FCUQAFHSCLCBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-16-10(6-7-15-16)11(17)8-9-4-3-5-12(18-2)13(9)14/h3-7,11,17H,8H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol?
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol has a molecular weight of 250.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 114554076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).