(3-Methyl-5,6-dihydro-4H-cyclopentapyrazol-1-yl)-pyridin-4-yl-amine | 287384-01-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (3-Methyl-5,6-dihydro-4H-cyclopentapyrazol-1-yl)-pyridin-4-yl-amine
• 英文别名: 3-methyl-N-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-amine
• CAS: 287384-01-4
• 化学式: C₁₂H₁₄N₄
• 分子量: 214.27
• InChiKey: DLYKWSVLKDIYIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  42.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  溴丙烷 、 (3-Methyl-5,6-dihydro-4H-cyclopentapyrazol-1-yl)-pyridin-4-yl-amine 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以47%的产率得到(3-Methyl-5,6-dihydro-4H-cyclopentapyrazol-1-yl)-propyl-pyridin-4-yl-amine
  参考文献：
  名称：

  Synthesis of NewN-(4-Pyridyl)-1-aminopyrazoles and Their Muscarinic and Adrenergic Properties

  摘要：

  The synthesis of new N-(4-pyridyl)-1-aminopyrazoles is described. Their binding properties were tested for muscarinic and other neurotransmitter receptors, together with their acetylcholinesterase inhibitory activity. The series derived from 3,5-dimethyl-1H-pyrazole showed moderate activities in both muscarinic and adrenergic receptor binding tests.

  DOI：

  10.1002/(sici)1521-4184(20005)333:5<118::aid-ardp118>3.0.co;2-q
• 作为产物：
  描述：

  3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole 在 氢氧化钾 、 hydroxylamine-O-sulfonic acid 作用下， 以 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 反应 31.0h， 生成 (3-Methyl-5,6-dihydro-4H-cyclopentapyrazol-1-yl)-pyridin-4-yl-amine
  参考文献：
  名称：

  Synthesis of NewN-(4-Pyridyl)-1-aminopyrazoles and Their Muscarinic and Adrenergic Properties

  摘要：

  The synthesis of new N-(4-pyridyl)-1-aminopyrazoles is described. Their binding properties were tested for muscarinic and other neurotransmitter receptors, together with their acetylcholinesterase inhibitory activity. The series derived from 3,5-dimethyl-1H-pyrazole showed moderate activities in both muscarinic and adrenergic receptor binding tests.

  DOI：

  10.1002/(sici)1521-4184(20005)333:5<118::aid-ardp118>3.0.co;2-q