3-Ethylamino-4-phenyl-pyrazol | 95533-60-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-Ethylamino-4-phenyl-pyrazol
• 英文别名: ethyl-(4-phenyl-1(2)H-pyrazol-3-yl)-amine；N-ethyl-4-phenyl-1H-pyrazol-5-amine
• CAS: 95533-60-1
• 化学式: C₁₁H₁₃N₃
• 分子量: 187.244
• InChiKey: QGNQXSIWRHFAMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  40.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ethyl 3-hydroxy-2-phenylacrylate 、 3-Ethylamino-4-phenyl-pyrazol 生成 4-Ethyl-3,6-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one
  参考文献：
  名称：

  Synthesis and BZR affinity of pyrazolo[1,5-a]pyrimidine derivatives. part 1: study of the structural features for BZR recognition

  摘要：

  Examination of the pharmacophoric points of the pyrazolo[1,5-a]pyrimidine derivatives, ligands for BZR, previously published led us to the design of a novel class of 3,6-diaryl-4,7-dihydro-pyrazolo[1,5-a]pyrimidin-7-ones and to determine the groups involved in the BZR recognition. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00232-1
• 作为产物：
  描述：

  3-Acetamido-4-phenyl-pyrazol 在 dimethyl sulfide borane 作用下， 生成 3-Ethylamino-4-phenyl-pyrazol
  参考文献：
  名称：

  Synthesis and BZR affinity of pyrazolo[1,5-a]pyrimidine derivatives. part 1: study of the structural features for BZR recognition

  摘要：

  Examination of the pharmacophoric points of the pyrazolo[1,5-a]pyrimidine derivatives, ligands for BZR, previously published led us to the design of a novel class of 3,6-diaryl-4,7-dihydro-pyrazolo[1,5-a]pyrimidin-7-ones and to determine the groups involved in the BZR recognition. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00232-1