[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]methanol

C16H13FN2O — CID 12886970

IUPAC[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]methanol
SMILESOCc1nn(-c2ccccc2F)cc1-c1ccccc1
InChIInChI=1S/C16H13FN2O/c17-14-8-4-5-9-16(14)19-10-13(15(11-20)18-19)12-6-2-1-3-7-12/h1-10,20H,11H2
InChIKeyAEAAPRWWGCHQQZ-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.17
Rot. Bonds3

About [1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]methanol

[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]methanol (PubChem CID 12886970) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]methanol
PubChem CID12886970
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]methanol
SMILESOCc1nn(-c2ccccc2F)cc1-c1ccccc1
InChIInChI=1S/C16H13FN2O/c17-14-8-4-5-9-16(14)19-10-13(15(11-20)18-19)12-6-2-1-3-7-12/h1-10,20H,11H2
InChIKeyAEAAPRWWGCHQQZ-UHFFFAOYSA-N
XLogP3.17
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]methanol?
The IUPAC name of [1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]methanol (CID 12886970) is [1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]methanol.
What is the SMILES notation for [1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]methanol?
The canonical SMILES for [1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]methanol is OCc1nn(-c2ccccc2F)cc1-c1ccccc1.
What is the InChIKey of [1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]methanol?
The InChIKey is AEAAPRWWGCHQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-14-8-4-5-9-16(14)19-10-13(15(11-20)18-19)12-6-2-1-3-7-12/h1-10,20H,11H2.
What are the key properties of [1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]methanol?
[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]methanol has a molecular weight of 268.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]methanol is sourced from PubChem (CID 12886970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).