5-chloro-N-cyclohexyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide | 302560-96-9

• 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-chloro-N-cyclohexyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
• 英文别名: 5-Chloro-N~4~-cyclohexyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide；5-chloro-N-cyclohexyl-3-methyl-1-phenylpyrazole-4-carboxamide
• CAS: 302560-96-9
• 化学式: C₁₇H₂₀ClN₃O
• mdl: MFCD00405091
• 分子量: 317.818
• InChiKey: BFJYNBFFHQILFL-UHFFFAOYSA-N

物化性质

• 沸点：
  467.9±45.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  46.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-chloro-N-cyclohexyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide 以 甲醇 为溶剂， 生成 N-cyclohexyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
  参考文献：
  名称：

  N-芳基邻氯杂芳烃甲酰胺的光环化合成吡唑并[4,3-c]喹啉-4-酮和吲哚[3,2-c]喹啉-6-酮

  摘要：

  5-氯-N-苯基-1 H-吡唑光环化高效合成吡唑并[4,3-C]喹啉-4-酮和吲哚[3,2-C]喹啉-6-酮丙酮中的 -4-羧酰胺和 2-氯-N-苯基-1 H-吲哚-3-羧酰胺。

  DOI：

  10.1055/s-2008-1067013
• 作为产物：
  描述：

  5-氯-3-甲基-1-苯基吡唑-4-甲醛 在 potassium permanganate 、 氯化亚砜 、 三乙胺 作用下， 以 四氢呋喃 、 水 、 丙酮 为溶剂， 反应 16.0h， 生成 5-chloro-N-cyclohexyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
  参考文献：
  名称：

  Synthesis and Evaluation of the Fungal Activity of New Pyrazole-Carboxamides Against Colletotrichum gloeosporioides

  摘要：

  The pyrazole core has been recognized by their biological properties and included in the synthesis of modern agrochemicals. Part of these studies consists of making structural modifications to pesticides for commercial purposes to increase efficacy. In this article, we present the synthesis of four new pyrazol-4-carboxamide 8a-8d derivatives (PCD), through a four-step synthetic protocol, starting with edaravone 1 and primary amines like benzo-fused. aliphatic, and hydrazines. through a process of low environmental impact. Synthesized derivatives were evaluated against one fungal strain of Colletotrichum gloeosporioides BA3, fungus that causes several losses to farmers around the world, through in vitro sensitivity tests. The compound 8c showed better inhibiting behavior against Colletotrichum gloeosporioides BA3, inducing a lag phase of almost 2.77 days. These results were obtained via Gompertz modeling. for the first time reported for biological evaluation of pyrazole-carboxamide derivatives against Colletotrichum gloeosporioides.

  DOI：

  10.21577/0103-5053.20200092