3-Chloro-N-(5-methyl-2H-pyrazol-3-yl)-benzamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-Chloro-N-(5-methyl-2H-pyrazol-3-yl)-benzamide
• 英文别名: 3-chloro-N-(5-methyl-1H-pyrazol-3-yl)benzamide
• 化学式: C₁₁H₁₀ClN₃O
• mdl: MFCD18840342
• 分子量: 235.673
• InChiKey: IRFUAGRGWAHBMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  57.8
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Chloro-N-(5-methyl-2H-pyrazol-3-yl)-benzamide 在 盐酸 、 potassium nitrite 、 碳酸氢钠 作用下， 生成 3-Chloro-N-(4-diazo-5-methyl-4H-pyrazol-3-yl)-benzamide
  参考文献：
  名称：

  Antimicrobial and antineoplastic activities of new 4-diazopyrazole derivatives

  摘要：

  Several new 4-diazopyrazole derivatives were prepared by the reaction of 3-methyl-5(substituted-benzamido)pyrazoles with an excess of nitrous acid in acetic acid solution. The compounds were tested for antiretroviral activity in HIV-1 infected MT-4 cells and antiproliferative effects against a panel of human leukemia, lymphoma and solid tumor cell lines. They were also tested for activity against representative gram-negative (Shigella, Salmonella) and gram-positive (S. aureus, D group Streptococcus) bacteria as well as fungi (C. albicans, C. paratropicalis, C. neoformans and A. fumigatus). Compounds were devoid of anti HIV-1 and antimicotic activities, whereas they were active against tumor cell lines, with inhibitory activity (IC50) in the range 2.4-20 mu M and bacteria. The highest microbial susceptibility was shown by gram-positive bacteria, with minimum inhibitory concentrations in the range 0.8-12.5 mu M. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(98)80004-4
• 作为产物：
  描述：

  3-氯苯甲酰氯 、 3-氨基-5-甲基吡唑 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 5.0h， 生成 3-Chloro-N-(5-methyl-2H-pyrazol-3-yl)-benzamide
  参考文献：
  名称：

  Antimicrobial and antineoplastic activities of new 4-diazopyrazole derivatives

  摘要：

  Several new 4-diazopyrazole derivatives were prepared by the reaction of 3-methyl-5(substituted-benzamido)pyrazoles with an excess of nitrous acid in acetic acid solution. The compounds were tested for antiretroviral activity in HIV-1 infected MT-4 cells and antiproliferative effects against a panel of human leukemia, lymphoma and solid tumor cell lines. They were also tested for activity against representative gram-negative (Shigella, Salmonella) and gram-positive (S. aureus, D group Streptococcus) bacteria as well as fungi (C. albicans, C. paratropicalis, C. neoformans and A. fumigatus). Compounds were devoid of anti HIV-1 and antimicotic activities, whereas they were active against tumor cell lines, with inhibitory activity (IC50) in the range 2.4-20 mu M and bacteria. The highest microbial susceptibility was shown by gram-positive bacteria, with minimum inhibitory concentrations in the range 0.8-12.5 mu M. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(98)80004-4