5-(2,5-dimethoxyphenyl)-3-phenyl-1H-pyrazole | 1431642-57-7

• 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-(2,5-dimethoxyphenyl)-3-phenyl-1H-pyrazole
• CAS: 1431642-57-7
• 化学式: C₁₇H₁₆N₂O₂
• 分子量: 280.326
• InChiKey: QJCPKYPXMLNFHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 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：
  47.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(2,5-二甲氧基苯基)-3-苯基丙烷-1,3-二酮 在 一水合肼 作用下， 以 甲醇 为溶剂， 反应 16.0h， 以89%的产率得到5-(2,5-dimethoxyphenyl)-3-phenyl-1H-pyrazole
  参考文献：
  名称：

  Design, synthesis and structure–activity relationships of 3,5-diaryl-1H-pyrazoles as inhibitors of arylamine N-acetyltransferase

  摘要：

  The synthesis and inhibitory potencies of a novel series of 3,5-diaryl-1H-pyrazoles as specific inhibitors of prokaryotic arylamine N-acetyltransferase enzymes is described. The series is based on hit compound 1 3,5-diaryl-1H-pyrazole identified from a high-throughout screen that has been carried out previously and found to inhibit the growth of Mycobacterium tuberculosis. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.052

文献信息

• Design, synthesis and structure–activity relationships of 3,5-diaryl-1H-pyrazoles as inhibitors of arylamine N-acetyltransferase
  作者：Elizabeth Fullam、James Talbot、Areej Abuhammed、Isaac Westwood、Stephen G. Davies、Angela J. Russell、Edith Sim

  DOI：10.1016/j.bmcl.2013.02.052

  日期：2013.5

  The synthesis and inhibitory potencies of a novel series of 3,5-diaryl-1H-pyrazoles as specific inhibitors of prokaryotic arylamine N-acetyltransferase enzymes is described. The series is based on hit compound 1 3,5-diaryl-1H-pyrazole identified from a high-throughout screen that has been carried out previously and found to inhibit the growth of Mycobacterium tuberculosis. (C) 2013 Elsevier Ltd. All rights reserved.