4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide

C16H12FN3O2 — CID 4086322

IUPAC4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide
SMILESO=C(NC1=NN(c2ccccc2)C(=O)C1)c1ccc(F)cc1
InChIInChI=1S/C16H12FN3O2/c17-12-8-6-11(7-9-12)16(22)18-14-10-15(21)20(19-14)13-4-2-1-3-5-13/h1-9H,10H2,(H,18,19,22)
InChIKeyUALWORYHELWTKU-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.31
Rot. Bonds2

About 4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide

4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide (PubChem CID 4086322) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide
PubChem CID4086322
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide
SMILESO=C(NC1=NN(c2ccccc2)C(=O)C1)c1ccc(F)cc1
InChIInChI=1S/C16H12FN3O2/c17-12-8-6-11(7-9-12)16(22)18-14-10-15(21)20(19-14)13-4-2-1-3-5-13/h1-9H,10H2,(H,18,19,22)
InChIKeyUALWORYHELWTKU-UHFFFAOYSA-N
XLogP2.31
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_B(4)', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide
CID 17341637
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2,2-diphenylacetamide
CID 17341544
5-bromo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)furan-2-carboxamide
CID 3891588
1-ethyl-3-(5-oxo-1-phenyl-4H-pyrazol-3-yl)urea
CID 131879882
N-[3-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 17341622
2-(3-methylbutyl)-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide
CID 17341640
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)formamide
CID 131880242
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-piperidin-1-ylacetamide
CID 25020981
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 17341539
5-benzoyl-2-phenyl-4H-pyrazol-3-one
CID 12609851
N-[1-(4-methylphenyl)-5-oxo-4H-pyrazol-3-yl]acetamide
CID 131879928

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide (CID 4086322) is 4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide is O=C(NC1=NN(c2ccccc2)C(=O)C1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide?
The InChIKey is UALWORYHELWTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c17-12-8-6-11(7-9-12)16(22)18-14-10-15(21)20(19-14)13-4-2-1-3-5-13/h1-9H,10H2,(H,18,19,22).
What are the key properties of 4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide?
4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide has a molecular weight of 297.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 4086322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).