1-methyl-4-cyanomethyl-5-aminopyrazole | 160662-05-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-methyl-4-cyanomethyl-5-aminopyrazole
• 英文别名: 2-(5-Amino-1-methyl-1H-pyrazol-4-yl)acetonitrile；2-(5-amino-1-methylpyrazol-4-yl)acetonitrile
• CAS: 160662-05-5
• 化学式: C₆H₈N₄
• 分子量: 136.156
• InChiKey: MPZBMUDIMNPQPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  67.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-methyl-4-cyanomethyl-5-aminopyrazole 在 palladium on activated charcoal 盐酸 、 水 、 氢气 、 三乙胺 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 22.5h， 生成 1H-Pyrazole-4-acetic acid, 5-(2-ethyl-4-oxo-3(4H)-quinzolinyl)-1-methyl-, ethyl ester
  参考文献：
  名称：

  Synthesis and pharmacological study of ethyl 1-methyl-5-[2-substituted-4-oxo-3(4H)-quinazolinyl]-1H-pyrazole-4-acetates

  摘要：

  A number of new ethyl 1-methyl-5-[4-oxo-3(4H)-quinazolinyl]-1H-pyrazole-4-acetates substituted at the 2 position of the quinazolinone ring were prepared. The compounds were tested for analgesic and antiinflammatory activities, as well as for their acute toxicity and ulcerogenic effect. The 2-methyl, 2-ethyl and 2-phenyl derivatives proved to be more active than acetylsalicylic acid and phenylbutazone in the phenylbenzoquinone writhing test. The 2-methyl derivative was also as active as acetylsalicylic acid in the carrageenin paw oedema test. All the compounds showed very reduced ulcerogenic effects and systemic toxicity.

  DOI：

  10.1016/0223-5234(94)90033-7
• 作为产物：
  描述：

  N-methyl-N-acetyl-N'-(2,3-dicyano-1-propen-1-yl)hydrazine 在 盐酸 作用下， 反应 0.08h， 以60%的产率得到1-methyl-4-cyanomethyl-5-aminopyrazole
  参考文献：
  名称：

  Synthesis and pharmacological study of ethyl 1-methyl-5-[2-substituted-4-oxo-3(4H)-quinazolinyl]-1H-pyrazole-4-acetates

  摘要：

  A number of new ethyl 1-methyl-5-[4-oxo-3(4H)-quinazolinyl]-1H-pyrazole-4-acetates substituted at the 2 position of the quinazolinone ring were prepared. The compounds were tested for analgesic and antiinflammatory activities, as well as for their acute toxicity and ulcerogenic effect. The 2-methyl, 2-ethyl and 2-phenyl derivatives proved to be more active than acetylsalicylic acid and phenylbutazone in the phenylbenzoquinone writhing test. The 2-methyl derivative was also as active as acetylsalicylic acid in the carrageenin paw oedema test. All the compounds showed very reduced ulcerogenic effects and systemic toxicity.

  DOI：

  10.1016/0223-5234(94)90033-7