Chemical substance record

Antipyrine

60-80-0C₁₁H₁₂N₂O188.23 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A pyrazolone derivative that is 1,2-dihydropyrazol-3-one substituted with methyl groups at N-1 and C-5 and with a phenyl group at N-2. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	60-80-0	ChEBI ↗
Molecular formula	C₁₁H₁₂N₂O	ChEBI ↗
Molar mass	188.23 g/mol	ChEBI ↗
Monoisotopic mass	188.09496 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:31225	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	188.23 g/mol	PubChem ↗
Exact mass	188.094963011 Da	PubChem ↗
Computed XLogP	0.4	PubChem ↗
Topological polar surface area (Å²)	23.6	PubChem ↗
H-bond donors	0	PubChem ↗
H-bond acceptors	2	PubChem ↗
Rotatable bonds	1	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

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Source preferred name

antipyrine

IUPAC name

1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

InChIKey

VEQOALNAAJBPNY-UHFFFAOYSA-N

SMILES

Cc1cc(=O)n(-c2ccccc2)n1C

InChI

InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3

Names & synonyms

1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-onefenazonaphenazonephenazonum

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 analgesicantipyreticxenobioticanti-asthmatic agentcyclooxygenase 3 inhibitorenvironmental contaminant

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

0.00531265 mol

Uses 188.23 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 · 11 atoms

70.19%

N

Nitrogen · 2 atoms

14.88%

O

Oxygen · 1 atom

8.50%

H

Hydrogen · 12 atoms

6.43%

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

Some ozone advanced oxidation processes to improve the biological removal of selected pharmaceutical contaminants from urban wastewater. ↗Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering · 2014 · PMID 24345239

Degradation of phenazone in aqueous solution with ozone: influencing factors and degradation pathways. ↗Chemosphere · 2015 Jan · PMID 25038548

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:31225

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

Additional molecular descriptorsNCBI PubChem · CID 2206 · 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.

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