HCID70335

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

5-methyl-2-phenyl-1H-pyrazol-3-one

C10H10N2O174.2 g/molCAS 19735-89-8

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IDENTITY

结构与身份

标准SMILES: Cc1cc(=O)n(-c2ccccc2)[nH]1
InChIKey: KZQYIMCESJLPQH-UHFFFAOYSA-N
分子式: C10H10N2O
平均分子量: 174.2 g/mol
单同位素质量: 174.07931295

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 32.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 1
重原子: 13
形式电荷: 0
复杂度: 241

PROPERTIES

实验与物化性质

来源：PubChem

Melting Point

130 °C

Physical Description

Solid

PHARMACOLOGY

药理信息

来源：PubChem

Metabolism/Metabolites

Edaravone 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 Locations

Cytoplasm；Extracellular

USES

用途与制造

来源：PubChem

General Manufacturing Information

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

ALIASES

名称与别名

共 76 条

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-ol1,2-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one5-methyl-2-phenyl-1H-pyrazol-3-oneN-Demethylantipyrine3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-phenyl-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one5-hydroxy-3-methyl-1-phenylpyrazole3-Methyl-1-phenylpyrazolin-5-one5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-oneMFCD00127930

REACTIONS

参与反应

15 条

uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04153711

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uspto-grants-1981_04 · 10.6084/m9.figshare.5104873.v1 · US04260776

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uspto-grants-1986_07 · 10.6084/m9.figshare.5104873.v1 · US04598020

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-1992_04 · 10.6084/m9.figshare.5104873.v1 · US05102781

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uspto-grants-1992_04 · 10.6084/m9.figshare.5104873.v1 · US05102781

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uspto-grants-1992_04 · 10.6084/m9.figshare.5104873.v1 · US05102781

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uspto-grants-1992_04 · 10.6084/m9.figshare.5104873.v1 · US05102781

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