1H-Pyrazol-5-ol, 3-methyl-1-phenyl-

HCID 70335

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Basic information

CAS: 19735-89-8
Standard SMILES: Cc1cc(=O)n(-c2ccccc2)[nH]1
InChIKey: KZQYIMCESJLPQH-UHFFFAOYSA-N
Molecular formula: C10H10N2O
Average molar mass: 174.2 g/mol
Monoisotopic mass: 174.07931295

Names & identifiers

Preferred name: 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-
IUPAC: 5-methyl-2-phenyl-1H-pyrazol-3-one
English name: 1,2-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
Molecular formula: C10H10N2O
Molecular weight: 174.2

Names & synonyms

3-Methyl-1-phenyl-1H-pyrazol-5-ol942-32-51H-Pyrazol-5-ol, 3-methyl-1-phenyl-EINECS 213-390-4DTXSID9061334RefChem:438923DTXCID504892419735-89-85-METHYL-2-PHENYL-1,2-DIHYDROPYRAZOL-3-ONE5-methyl-2-phenyl-1H-pyrazol-3(2H)-one5-Methyl-2-phenyl-2H-pyrazol-3-ol5-methyl-2-phenyl-1H-pyrazol-3-one

Show more names

1-PHENYL-3-METHYL-5-PYRAZOLONE1,2-Dihydro-5-methylEdaravone Impurity 9Edaravone Impurity 16Edaravone Related CompoundEdaravone Related Compound 12-Phenyl-5-methyl-1H-pyrazole-3(2H)-one

N-Demethylantipyrine1,2-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-phenyl-5-hydroxy-3-methyl-1-phenylpyrazole3-Methyl-1-phenylpyrazolin-5-one5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-oneMFCD00127930

Database identifiers

CAS: 19735-89-8、89-25-8、942-32-5
PubChem CID: 70335
DTXSID: DTXSID6091550
ChEMBL: CHEMBL4303694、CHEMBL5550002
ChEBI: CHEBI:190738
EC Number: 213-390-4、243-261-8
Nikkaji: J2.853.555D、J225.260K、J298.544F

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 241

Experimental & physicochemical properties

Melting Point130 °C

Physical DescriptionSolid

Physicochemical properties

Melting point: 128 °C · 128°C
Boiling point: 305.17 °C · 305.17°C (rough estimate)
Density: 1.26 · 1.2600
refractive index: 1.637 · 1.6370 (estimate)
storage temp.: Store at room temperature
pka: 0.1 · 0.10±0.40(Predicted)
Appearance: Light yellow to yellow Solid
CAS DataBase Reference: 19735 · 19735-89-8
FDA UNII: 798 V6YJRP · S798V6YJRP
EPA Substance Registry System: 1 · 1-Phenyl-3-methyl-5-pyrazolone (19735-89-8)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Pharmacology

Metabolism/MetabolitesEdaravone has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(5-methyl-2-phenylpyrazol-3-yl)oxyoxane-2-carboxylic acid.；Norantipyrine is a known human metabolite of antipyrine.

Cellular LocationsCytoplasm；Extracellular

Uses & manufacturing

General Manufacturing Information1H-Pyrazol-5-ol, 3-methyl-1-phenyl-: INACTIVE

Applications · 1 item

Uses1,2-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one is an important class of heterocyclic compounds with physiological functions. It can be used as an antipyretic, analgesic, and antibacterial agent, as well as an analytical reagent, an antioxidant for rubber and flaxseed, and a dye for textiles.