1-[2-fluoro-6-(3-methylpyrazol-1-yl)phenyl]ethanol

C12H13FN2O — CID 62487974

IUPAC1-[2-fluoro-6-(3-methylpyrazol-1-yl)phenyl]ethanol
SMILESCc1ccn(-c2cccc(F)c2C(C)O)n1
InChIInChI=1S/C12H13FN2O/c1-8-6-7-15(14-8)11-5-3-4-10(13)12(11)9(2)16/h3-7,9,16H,1-2H3
InChIKeySGVPYFWQWJUBOH-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.37
Rot. Bonds2

About 1-[2-fluoro-6-(3-methylpyrazol-1-yl)phenyl]ethanol

1-[2-fluoro-6-(3-methylpyrazol-1-yl)phenyl]ethanol (PubChem CID 62487974) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-[2-fluoro-6-(3-methylpyrazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-fluoro-6-(3-methylpyrazol-1-yl)phenyl]ethanol
PubChem CID62487974
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name1-[2-fluoro-6-(3-methylpyrazol-1-yl)phenyl]ethanol
SMILESCc1ccn(-c2cccc(F)c2C(C)O)n1
InChIInChI=1S/C12H13FN2O/c1-8-6-7-15(14-8)11-5-3-4-10(13)12(11)9(2)16/h3-7,9,16H,1-2H3
InChIKeySGVPYFWQWJUBOH-UHFFFAOYSA-N
XLogP2.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(3-methylpyrazol-1-yl)phenyl]ethanol?
The IUPAC name of 1-[2-fluoro-6-(3-methylpyrazol-1-yl)phenyl]ethanol (CID 62487974) is 1-[2-fluoro-6-(3-methylpyrazol-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[2-fluoro-6-(3-methylpyrazol-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[2-fluoro-6-(3-methylpyrazol-1-yl)phenyl]ethanol is Cc1ccn(-c2cccc(F)c2C(C)O)n1.
What is the InChIKey of 1-[2-fluoro-6-(3-methylpyrazol-1-yl)phenyl]ethanol?
The InChIKey is SGVPYFWQWJUBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-8-6-7-15(14-8)11-5-3-4-10(13)12(11)9(2)16/h3-7,9,16H,1-2H3.
What are the key properties of 1-[2-fluoro-6-(3-methylpyrazol-1-yl)phenyl]ethanol?
1-[2-fluoro-6-(3-methylpyrazol-1-yl)phenyl]ethanol has a molecular weight of 220.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(3-methylpyrazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 62487974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).