3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1-(3-nitrophenyl)prop-2-en-1-one | 1252881-71-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1-(3-nitrophenyl)prop-2-en-1-one
• CAS: 1252881-71-2
• 化学式: C₁₉H₁₄ClN₃O₃
• 分子量: 367.791
• InChiKey: VGUPOYAJLFRYGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.64
• 重原子数：
  26.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  78.03
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1-(3-nitrophenyl)prop-2-en-1-one 、 丙酸 在 一水合肼 作用下， 反应 12.0h， 以81.68%的产率得到C₂₂H₂₀ClN₅O₃
  参考文献：
  名称：

  Synthesis and pharmacological study of 1-acetyl/propyl-3-aryl-5-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-pyrazoline

  摘要：

  A series of 1-acetyl/propyl-3-aryl-5-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-pyrazolines were synthesized in one step by condensing suitably substituted propenones, hydrazine and acenc/propionic acid. The newly synthesized pyrazolines were characterized by analytical and spectral data. The new compounds were screened for analgesic and anti-inflammatory activity and most of them showed good activity comparable with that of standard drugs Pentazocin and Diclofinac sodium respectively. (C) 2010 Elsevier Masson SAS All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.07.032
• 作为产物：
  描述：

  5-氯-3-甲基-1-苯基吡唑-4-甲醛 、 间硝基苯乙酮 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 以97%的产率得到3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1-(3-nitrophenyl)prop-2-en-1-one
  参考文献：
  名称：

  Synthesis and pharmacological study of 1-acetyl/propyl-3-aryl-5-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-pyrazoline

  摘要：

  A series of 1-acetyl/propyl-3-aryl-5-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-pyrazolines were synthesized in one step by condensing suitably substituted propenones, hydrazine and acenc/propionic acid. The newly synthesized pyrazolines were characterized by analytical and spectral data. The new compounds were screened for analgesic and anti-inflammatory activity and most of them showed good activity comparable with that of standard drugs Pentazocin and Diclofinac sodium respectively. (C) 2010 Elsevier Masson SAS All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.07.032