2-(4-fluorophenyl)-3-hydroxy-1H-pyrazol-5-one

C9H7FN2O2 — CID 90765355

IUPAC2-(4-fluorophenyl)-3-hydroxy-1H-pyrazol-5-one
SMILESO=c1cc(O)n(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C9H7FN2O2/c10-6-1-3-7(4-2-6)12-9(14)5-8(13)11-12/h1-5,14H,(H,11,13)
InChIKeySADXTWGFGBTVPK-UHFFFAOYSA-N
MW194.17 g/mol
LogP1.01
Rot. Bonds1

About 2-(4-fluorophenyl)-3-hydroxy-1H-pyrazol-5-one

2-(4-fluorophenyl)-3-hydroxy-1H-pyrazol-5-one (PubChem CID 90765355) has the molecular formula C9H7FN2O2 and a molecular weight of 194.17 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-hydroxy-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-hydroxy-1H-pyrazol-5-one
PubChem CID90765355
Molecular FormulaC9H7FN2O2
Molecular Weight194.17 g/mol
Exact Mass194.05
IUPAC Name2-(4-fluorophenyl)-3-hydroxy-1H-pyrazol-5-one
SMILESO=c1cc(O)n(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C9H7FN2O2/c10-6-1-3-7(4-2-6)12-9(14)5-8(13)11-12/h1-5,14H,(H,11,13)
InChIKeySADXTWGFGBTVPK-UHFFFAOYSA-N
XLogP1.01
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazol-5-ol, 3-methyl-1-phenyl-
CID 70335
6-hydroxy-2-phenylpyridazin-3(2H)-one
CID 74333
1-phenyl-2,3-dihydro-1H-pyrazol-3-one
CID 594724
2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-ol
CID 892717
5-amino-1-phenyl-1H-pyrazol-3-ol
CID 320007
1,2-Dihydro-4,5-dimethyl-2-phenyl-3H-pyrazol-3-one
CID 604673
1-(3-Fluorophenyl)pyrazolidine-3,5-dione
CID 16195226
4-butyl-3-hydroxy-2-phenyl-1H-pyrazol-5-one
CID 17756787
5-[(4-fluoro-N-methylanilino)methyl]-1,2-dihydropyrazol-3-one
CID 71601101
N'-methyl-N'-phenylacetohydrazide
CID 3582118
3-amino-1-phenyl-1H-pyrazol-5-ol
CID 99683
1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-ol
CID 341367

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-hydroxy-1H-pyrazol-5-one?
The IUPAC name of 2-(4-fluorophenyl)-3-hydroxy-1H-pyrazol-5-one (CID 90765355) is 2-(4-fluorophenyl)-3-hydroxy-1H-pyrazol-5-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-hydroxy-1H-pyrazol-5-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-hydroxy-1H-pyrazol-5-one is O=c1cc(O)n(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-3-hydroxy-1H-pyrazol-5-one?
The InChIKey is SADXTWGFGBTVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c10-6-1-3-7(4-2-6)12-9(14)5-8(13)11-12/h1-5,14H,(H,11,13).
What are the key properties of 2-(4-fluorophenyl)-3-hydroxy-1H-pyrazol-5-one?
2-(4-fluorophenyl)-3-hydroxy-1H-pyrazol-5-one has a molecular weight of 194.17 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-hydroxy-1H-pyrazol-5-one is sourced from PubChem (CID 90765355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).