Ramifenazone

HCID 5037CAS 3615-24-5

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1c(NC(C)C)c(=O)n(-c2ccccc2)n1C
InChIKey: XOZLRRYPUKAKMU-UHFFFAOYSA-N
分子式: C14H19N3O
平均分子量: 245.32 g/mol
単同位体質量: 245.15281223

概要

1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)-3-pyrazolone is a member of pyrazoles and a ring assembly.

名称と識別子

優先名称: Ramifenazone
IUPAC: 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one

名称と別名

Ramifenazone3615-24-5IsopyrineIsopropylaminoantipyrineIsopropylaminophenazoneRamifenazonaRamifenazonumDTXSID1045906GKH2KOV2RF1-Phenyl-2,3-dimethyl-4-isopropylaminopyrazolone1-Phenyl-2,3-dimethyl-4-(isopropylamino)-2-pyrazolin-5-oneNSC-758621

名称をさらに表示

DTXCID9025906RefChem:178606222-791-3IsopyrinRamifenazone [INN]1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-oneIsopirina3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-((1-methylethyl)amino)-2-phenyl-

データベース識別子

CAS: 3615-24-5
PubChem CID: 5037
DTXSID: DTXSID1045906
ChEMBL: CHEMBL157337
ChEBI: CHEBI:94776
UNII: GKH2KOV2RF
EC Number: 222-791-3
Nikkaji: J8.184A

物性

構造計算による物性

XLogP: 1.6
極性表面積: 35.6 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 18
形式電荷: 0
複雑度: 356

実験および物理化学的性質

Human DrugsPharmaceuticals

Collision Cross Section · 2 件

165.74 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

156.5 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

安全と法規制

GHS分類

GHS ClassificationNot Classified

危険有害性情報

Regulatory Information · 1 件

3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-(1-methylethyl)amino-2-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-[(1-methylethyl)amino]-2-phenyl-: Environment tier I assessment

Hazard Classes and CategoriesNot Classified

化学と産業

用途と製造

Use ClassificationPharmaceuticals