Chemical substance record

Edaravone

89-25-8C₁₀H₁₀N₂O174.203 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A pyrazolone that is 2,4-dihydro-3H-pyrazol-3-one which is substituted at positions 2 and 5 by phenyl and methyl groups, respectively. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values

CAS number	89-25-8	ChEBI ↗
Molecular formula	C₁₀H₁₀N₂O	ChEBI ↗
Molar mass	174.203 g/mol	ChEBI ↗
Monoisotopic mass	174.07931 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:31530	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	174.20 g/mol	PubChem ↗
Exact mass	174.079312947 Da	PubChem ↗
Computed XLogP	1.3	PubChem ↗
Topological polar surface area (Å²)	32.7	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

edaravone

IUPAC name

5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

InChIKey

QELUYTUMUWHWMC-UHFFFAOYSA-N

SMILES

CC1=NN(c2ccccc2)C(=O)C1

InChI

InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3

Names & synonyms

5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-oneRadicut

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

antioxidantrenoprotective agentradical scavengerneuroprotective agent

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

0.00574043 mol

Uses 174.203 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 · 10 atoms

68.95%

N

Nitrogen · 2 atoms

16.08%

O

Oxygen · 1 atom

9.18%

H

Hydrogen · 10 atoms

5.79%

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

Structure-activity relationship of 3-methyl-1-phenyl-2-pyrazolin-5-one (edaravone). ↗Redox report : communications in free radical research · 2003 · PMID 12935312

The reaction rate of edaravone (3-methyl-1-phenyl-2-pyrazolin-5-one (MCI-186)) with hydroxyl radical. ↗Chemical & pharmaceutical bulletin · 2004 Feb · PMID 14758002

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:31530

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

Additional molecular descriptorsNCBI PubChem · CID 4021 · 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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