1-Phenyl-3-pyridin-3-yl-1H-pyrazole-4-carboxylic acid (morpholine-4-carbothioyl)-amide

• 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: 1-Phenyl-3-pyridin-3-yl-1H-pyrazole-4-carboxylic acid (morpholine-4-carbothioyl)-amide
• 英文别名: N-(morpholine-4-carbothioyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
• 化学式: C₂₀H₁₉N₅O₂S
• 分子量: 393.469
• InChiKey: STYRPOJVZBNRSX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl chloride 以 苯 为溶剂， 反应 8.0h， 生成 1-Phenyl-3-pyridin-3-yl-1H-pyrazole-4-carboxylic acid (morpholine-4-carbothioyl)-amide
  参考文献：
  名称：

  摘要：

  3-Aryl(heteryl)-1-phenyl-4-pyrazolecarbonyl isothiocyanates were synthesized by treatment of 3-aryl(heteryl)-1-phenyl-4-pyrazolecarbonyl chlorides with lead, sodium, or ammonium thiocyanate. Their reactions with amines, hydrazines, and acylhydrazines gave the corresponding thioureas and thiosemicarbazides.

  DOI：

  10.1023/a:1016394311649

文献信息

• ——
  作者：V. A. Chornous、N. V. Mel'nichenko、M. K. Bratenko、M. V. Vovk

  DOI：10.1023/a:1016394311649

  日期：——

  3-Aryl(heteryl)-1-phenyl-4-pyrazolecarbonyl isothiocyanates were synthesized by treatment of 3-aryl(heteryl)-1-phenyl-4-pyrazolecarbonyl chlorides with lead, sodium, or ammonium thiocyanate. Their reactions with amines, hydrazines, and acylhydrazines gave the corresponding thioureas and thiosemicarbazides.