1-[5-(4-fluorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone

C17H15FN2O2 — CID 25058882

IUPAC1-[5-(4-fluorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone
SMILESCC(=O)N1N=C(c2ccccc2)CC1(O)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2/c1-12(21)20-17(22,14-7-9-15(18)10-8-14)11-16(19-20)13-5-3-2-4-6-13/h2-10,22H,11H2,1H3
InChIKeyQLFYWNVICFQXKP-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.63
Rot. Bonds2

About 1-[5-(4-fluorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone

1-[5-(4-fluorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone (PubChem CID 25058882) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone
PubChem CID25058882
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name1-[5-(4-fluorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone
SMILESCC(=O)N1N=C(c2ccccc2)CC1(O)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2/c1-12(21)20-17(22,14-7-9-15(18)10-8-14)11-16(19-20)13-5-3-2-4-6-13/h2-10,22H,11H2,1H3
InChIKeyQLFYWNVICFQXKP-UHFFFAOYSA-N
XLogP2.63
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone?
The IUPAC name of 1-[5-(4-fluorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone (CID 25058882) is 1-[5-(4-fluorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[5-(4-fluorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone is CC(=O)N1N=C(c2ccccc2)CC1(O)c1ccc(F)cc1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone?
The InChIKey is QLFYWNVICFQXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-12(21)20-17(22,14-7-9-15(18)10-8-14)11-16(19-20)13-5-3-2-4-6-13/h2-10,22H,11H2,1H3.
What are the key properties of 1-[5-(4-fluorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone?
1-[5-(4-fluorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone has a molecular weight of 298.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone is sourced from PubChem (CID 25058882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).