5-Ethyl-4-(1-methyl-butyl)-2H-pyrazol-3-ylamine | 851107-20-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-Ethyl-4-(1-methyl-butyl)-2H-pyrazol-3-ylamine
• CAS: 851107-20-5
• 化学式: C₁₀H₁₉N₃
• 分子量: 181.281
• InChiKey: JDRUSULZDZPJHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.46
• 重原子数：
  13.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  54.7
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  5-Ethyl-4-(1-methyl-butyl)-2H-pyrazol-3-ylamine 、 N-[1-(methylthio)ethylidene]-2,4-dichlorobenzamide 以 1,4-二氧六环 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Pyrazolo-[1,5-a]-1,3,5-triazine corticotropin-Releasing factor (CRF) receptor ligands

  摘要：

  The syntheses and rat CRF receptor binding affinities of 'retro-pyrazolotriazine' corticotropin-releasing factor (CRF) ligands 4 are reported. Some have high affinity for rat CRF receptors (K-i < 10 nM). The data provide additional support for the hypothesis that it is possible to interchange isosteric cores with similar electronic properties in the design of high-affinity CRF receptor ligands, provided the peripheral pharmacophore elements are maintained in the same three-dimensional array. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00398-5
• 作为产物：
  描述：

  3-甲基己腈 在 溶剂黄146 、 肼 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 5-Ethyl-4-(1-methyl-butyl)-2H-pyrazol-3-ylamine
  参考文献：
  名称：

  Pyrazolo-[1,5-a]-1,3,5-triazine corticotropin-Releasing factor (CRF) receptor ligands

  摘要：

  The syntheses and rat CRF receptor binding affinities of 'retro-pyrazolotriazine' corticotropin-releasing factor (CRF) ligands 4 are reported. Some have high affinity for rat CRF receptors (K-i < 10 nM). The data provide additional support for the hypothesis that it is possible to interchange isosteric cores with similar electronic properties in the design of high-affinity CRF receptor ligands, provided the peripheral pharmacophore elements are maintained in the same three-dimensional array. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00398-5