(Z)-N'-hydroxy-3-(4-hydroxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole-5-carboximidamide | 1448772-66-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (Z)-N'-hydroxy-3-(4-hydroxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole-5-carboximidamide
• 英文别名: N'-hydroxy-5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carboximidamide
• CAS: 1448772-66-4
• 化学式: C₁₆H₁₆N₄O₂
• 分子量: 296.329
• InChiKey: VXICDXGVKYGWJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  94.4
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (Z)-N'-hydroxy-3-(4-hydroxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole-5-carboximidamide 、 藜芦酸 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以62%的产率得到5-(3,4-dimethoxyphenyl)-3-(3-(4-hydroxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-5-yl)-1,2,4-oxadiazole
  参考文献：
  名称：

  Novel pyrazoline amidoxime and their 1,2,4-oxadiazole analogues: Synthesis and pharmacological screening

  摘要：

  A novel series of pyrazoline amidoxime (2a-d) and pyrazoly-1,2,4-oxadiazole (3a-p) and (4) of pharmacological significance have been synthesised. Structures of newly synthesised compounds were characterized by spectral studies. New compounds were screened for their in vitro antioxidant, antimicrobial and antiinflammatory activities. Among the synthesized compounds, compound 2a, 31 and 30 were found to be active antimicrobial agents in addition to having potent antioxidant activity, while the compound 3f showed promising antiinflammatory activity in comparison with standard drug. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.06.042
• 作为产物：
  描述：

  3-(4-hydroxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile 在 盐酸羟胺 、 sodium carbonate 作用下， 以 乙醇 、 水 为溶剂， 以92%的产率得到(Z)-N'-hydroxy-3-(4-hydroxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole-5-carboximidamide
  参考文献：
  名称：

  Novel pyrazoline amidoxime and their 1,2,4-oxadiazole analogues: Synthesis and pharmacological screening

  摘要：

  A novel series of pyrazoline amidoxime (2a-d) and pyrazoly-1,2,4-oxadiazole (3a-p) and (4) of pharmacological significance have been synthesised. Structures of newly synthesised compounds were characterized by spectral studies. New compounds were screened for their in vitro antioxidant, antimicrobial and antiinflammatory activities. Among the synthesized compounds, compound 2a, 31 and 30 were found to be active antimicrobial agents in addition to having potent antioxidant activity, while the compound 3f showed promising antiinflammatory activity in comparison with standard drug. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.06.042