Home/Chemicals/479-92-5

Chemical substance record

Propyphenazone

479-92-5C₁₄H₁₈N₂O230.311 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A pyrazolone derivative that is antipyrine substituted at C-4 by an isopropyl group. — ChEBI

Safety references

Safety documents & references

Supplier matching matters

Find the safety document for your specific supplier, product number and grade.

Find a product-specific SDS

Search SDS PDFs Sigma-Aldrich Thermo Fisher

Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.

Identity & molecular properties

Source-linked values

CAS number	479-92-5	ChEBI ↗
Molecular formula	C₁₄H₁₈N₂O	ChEBI ↗
Molar mass	230.311 g/mol	ChEBI ↗
Monoisotopic mass	230.14191 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:135538	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	230.31 g/mol	PubChem ↗
Exact mass	230.141913202 Da	PubChem ↗
Computed XLogP	1.7	PubChem ↗
Topological polar surface area (Å²)	23.6	PubChem ↗
H-bond donors	0	PubChem ↗
H-bond acceptors	2	PubChem ↗
Rotatable bonds	2	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier

Source preferred name

propyphenazone

IUPAC name

1,5-dimethyl-2-phenyl-4-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one

InChIKey

PXWLVJLKJGVOKE-UHFFFAOYSA-N

SMILES

Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C

InChI

InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3

Names & synonyms

1,5-dimethyl-2-phenyl-4-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-onepropifenazonapropyphenazonum

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

pyrazoloneChEBI parent class · 83328 ↗

organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

non-steroidal anti-inflammatory druganalgesicnon-narcotic analgesicperipheral nervous system drug

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00434196 mol

Uses 230.311 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 14 atoms

73.01%

N

Nitrogen · 2 atoms

12.16%

H

Hydrogen · 18 atoms

7.88%

O

Oxygen · 1 atom

6.95%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Formation of the knee joint after prenatal propyphenazone (isopropylantipyrine) administration. ↗Cells, tissues, organs · 2002 · PMID 12097837

Analytical strategy for the confirmatory analysis of the non-steroidal anti-inflammatory drugs firocoxib, propyphenazone, ramifenazone and piroxicam in bovine plasma by liquid chromatography tandem mass spectrometry. ↗Journal of pharmaceutical and biomedical analysis · 2011 Sep 10 · PMID 21684706

Search PubMed Google Scholar

Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:135538

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 3778 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

How this record was assembled Suggest a correction