4-[2-(3,5-Bis-trifluoromethyl-phenyl)-5-(3,5-dichloro-phenyl)-2H-pyrazol-3-yl]-butan-1-ol | 936946-45-1

• 英文名称: 4-[2-(3,5-Bis-trifluoromethyl-phenyl)-5-(3,5-dichloro-phenyl)-2H-pyrazol-3-yl]-butan-1-ol
• CAS: 936946-45-1
• 化学式: C₂₁H₁₆Cl₂F₆N₂O
• 分子量: 497.267
• InChiKey: YYBDGLWMSWENPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  32.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  38.05
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-[2-(3,5-Bis-trifluoromethyl-phenyl)-5-(3,5-dichloro-phenyl)-2H-pyrazol-3-yl]-butan-1-ol 在 重铬酸吡啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-[2-(3,5-Bis-trifluoromethyl-phenyl)-5-(3,5-dichloro-phenyl)-2H-pyrazol-3-yl]-butyric acid
  参考文献：
  名称：

  Diaryl substituted pyrazoles as potent CCR2 receptor antagonists

  摘要：

  We have identified and synthesized a series of diaryl substituted pyrazoles as potent antagonists of the chemokine receptor subtype 2. Structure-activity relationship studies directed toward improving the potency led to the discovery of 23 (IC50 = 6 nM). (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.060
• 作为产物：
  描述：

  4-[2-(3,5-Bis-trifluoromethyl-phenyl)-5-(3,5-dichloro-phenyl)-2H-pyrazol-3-yl]-but-3-yn-1-ol 在 palladium on activated charcoal 氢气 作用下， 以 乙酸乙酯 为溶剂， 生成 4-[2-(3,5-Bis-trifluoromethyl-phenyl)-5-(3,5-dichloro-phenyl)-2H-pyrazol-3-yl]-butan-1-ol
  参考文献：
  名称：

  Diaryl substituted pyrazoles as potent CCR2 receptor antagonists

  摘要：

  We have identified and synthesized a series of diaryl substituted pyrazoles as potent antagonists of the chemokine receptor subtype 2. Structure-activity relationship studies directed toward improving the potency led to the discovery of 23 (IC50 = 6 nM). (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.060