4-(5-hydroxy-1,3-dimethyl-4-pyrazolylimino)-1,3-dimethyl-2-pyrazolin-5-one | 62095-05-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 4-(5-hydroxy-1,3-dimethyl-4-pyrazolylimino)-1,3-dimethyl-2-pyrazolin-5-one
• 英文别名: 4-(5-hydroxy-1,3-dimethylpyrazol-4-ylimino)-1,3-dimethyl-2-pyrazolin-5-one；rubazonic acid；2,5,2',5'-tetramethyl-1,2,2',4'-tetrahydro-4,4'-azanylylidene-bis-pyrazol-3-one
• CAS: 62095-05-0
• 化学式: C₁₀H₁₃N₅O₂
• 分子量: 235.246
• InChiKey: BZDHZOGMJRBPMU-FLIBITNWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.35
• 重原子数：
  17.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  83.08
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N-甲基哌啶 、 4-(5-hydroxy-1,3-dimethyl-4-pyrazolylimino)-1,3-dimethyl-2-pyrazolin-5-one 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  A New Versatile Apparatus for Relaxation Kinetics with Shock Waves

  摘要：

  AbstractA new shock wave apparatus uses the discharge of a high voltage capacitor through an organic electrolyte to generate rectangular pressure pulses of typically 8 MPa amplitude and 80 μsec duration. The apparatus permits the study of fast reactions with relaxation times between a few microseconds and about fifty microseconds in any solvent. Measurements on proton transfer reactions in acetonitrile and water are reported.

  DOI：

  10.1002/bbpc.19890931209
• 作为产物：
  描述：

  以 乙腈 为溶剂， 生成 N-甲基哌啶 、 4-(5-hydroxy-1,3-dimethyl-4-pyrazolylimino)-1,3-dimethyl-2-pyrazolin-5-one
  参考文献：
  名称：

  A New Versatile Apparatus for Relaxation Kinetics with Shock Waves

  摘要：

  AbstractA new shock wave apparatus uses the discharge of a high voltage capacitor through an organic electrolyte to generate rectangular pressure pulses of typically 8 MPa amplitude and 80 μsec duration. The apparatus permits the study of fast reactions with relaxation times between a few microseconds and about fifty microseconds in any solvent. Measurements on proton transfer reactions in acetonitrile and water are reported.

  DOI：

  10.1002/bbpc.19890931209