4-[(3,5-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
基本情報
- CAS
41554-28-3- 標準SMILES
CC1=CC(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)C=C(C)C1=O- InChIKey
QPOLNCLDOZWETF-UHFFFAOYSA-N- 分子式
- C19H19N3O2
- 平均分子量
- 321.4 g/mol
- 単同位体質量
- 321.14772686
名称と識別子
- 優先名称
- 4-[(3,5-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
- IUPAC
- 4-[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
名称と別名
41554-28-3MLS0007232474-[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-oneSMR0002365924-[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-oneSCHEMBL3856509CHEMBL1501913BDBM34785cid_3272650DTXSID001321435HMS2568I04AKOS003614807
名称をさらに表示
4-((3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-oneSR-01000011653SR-01000011653-1F1345-02504-[(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one4-[(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino]-1,5-dimethyl-2-phenyl-3-pyrazolone4-[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one4-[(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one
データベース識別子
- CAS
41554-28-3- PubChem CID
- 3272650
- DTXSID
DTXSID001321435- ChEMBL
CHEMBL1501913
物性
構造計算による物性
- XLogP
- 1.5
- 極性表面積
- 53 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 2
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 682
実験および物理化学的性質
Solubility12.8 [ug/mL] (The mean of the results at pH 7.4)
関連反応
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化合物ノート
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