2-[5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyridine | 1442656-78-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-[5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyridine
• CAS: 1442656-78-1
• 化学式: C₁₄H₁₂N₄O₂
• 分子量: 268.275
• InChiKey: KIZXJCZBNYRRAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.43
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  80.42
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  3-(4-硝基苯基)-1-(2-吡啶基)-2-丙烯酮 在 一水合肼 、 溶剂黄146 作用下， 反应 24.0h， 以45%的产率得到2-[5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyridine
  参考文献：
  名称：

  Synthesis, physicochemical properties, antimicrobial and antioxidant studies of pyrazoline derivatives bearing a pyridyl moiety

  摘要：

  A series of new pyrazoline compounds bearing a pyridyl moiety (4a-i) were synthesized by condensing appropriate chalcones with hydrazine hydrate and tested for antimicrobial and antioxidant activities. According to in vitro antimicrobial activity against Bacillus subtilis, Staphylococcus epidermidis, Proteus vulgaris, Pseudomonas aeruginosa, Aspergillus niger and Penicillium chrysogenum and antioxidant activity by DPPH method, the compounds 4a, 4d, 4i and 4e, 4f, 4h showed maximum antimicrobial and antioxidant activities, respectively. Physiochemical properties and Lipinski's 'Rule of Five' analysis predicted higher intrinsic quality of the synthesized compounds and revealed that these compounds have good bioavailability and druglikeness properties.

  DOI：

  10.1007/s00044-013-0643-z