4-(p-nitrobenzylideneaminomethyl)-1-methyl-5-(1-pyrryl)pyrazole | 156032-54-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(p-nitrobenzylideneaminomethyl)-1-methyl-5-(1-pyrryl)pyrazole
• 英文别名: 1-Methyl-N-[(4-nitrophenyl)methylene]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-methanamine；N-[(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]-1-(4-nitrophenyl)methanimine
• CAS: 156032-54-1
• 化学式: C₁₆H₁₅N₅O₂
• 分子量: 309.327
• InChiKey: KXAZGZPZOBWCQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  80.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(p-nitrobenzylideneaminomethyl)-1-methyl-5-(1-pyrryl)pyrazole 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 0.75h， 生成
  参考文献：
  名称：

  5,6-Dihydro-1H, 4H-pyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepines. Synthesis and pharmacological evaluation

  摘要：

  A series of new 5,6-dihydro-1H,4H-pyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepines was synthesized and tested for acute toxicity and CNS activity in mice. Some of these compounds were shown to possess anxiolytic activity similar to that of diazepam, with weak anticonvulsant and sedative action.

  DOI：

  10.1016/0223-5234(94)90041-8
• 作为产物：
  描述：

  5-氨基-1-甲基-吡唑-4-甲腈 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 乙醇 、 溶剂黄146 为溶剂， 反应 18.5h， 生成 4-(p-nitrobenzylideneaminomethyl)-1-methyl-5-(1-pyrryl)pyrazole
  参考文献：
  名称：

  5,6-Dihydro-1H, 4H-pyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepines. Synthesis and pharmacological evaluation

  摘要：

  A series of new 5,6-dihydro-1H,4H-pyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepines was synthesized and tested for acute toxicity and CNS activity in mice. Some of these compounds were shown to possess anxiolytic activity similar to that of diazepam, with weak anticonvulsant and sedative action.

  DOI：

  10.1016/0223-5234(94)90041-8

文献信息

• 5,6-Dihydro-1H, 4H-pyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepines. Synthesis and pharmacological evaluation
  作者：S Vega、MS Gil、V Darias、CC Sánchez Mateo、MA Expósito、MJ Oset-Gasque、M Parramón、MP González

  DOI：10.1016/0223-5234(94)90041-8

  日期：1994.1

  A series of new 5,6-dihydro-1H,4H-pyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepines was synthesized and tested for acute toxicity and CNS activity in mice. Some of these compounds were shown to possess anxiolytic activity similar to that of diazepam, with weak anticonvulsant and sedative action.