1-(5-甲基-1-丙基-1H-吡唑-4-基)乙酮 | 956951-04-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(5-甲基-1-丙基-1H-吡唑-4-基)乙酮
• 英文名称: 1-(5-methyl-1-propyl-1H-pyrazol-4-yl)ethanone
• 英文别名: 1-(5-methyl-1-propylpyrazol-4-yl)ethanone
• CAS: 956951-04-5
• 化学式: C₉H₁₄N₂O
• mdl: MFCD03167211
• 分子量: 166.22
• InChiKey: HNHSSZURMHIKRN-UHFFFAOYSA-N

物化性质

• 沸点：
  264.2±20.0 °C(Predicted)
• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933199090

文献信息

• NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 11SS-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORY ACTIVITY
  申请人：Masuda Koji

  公开号：US20100240659A1

  公开（公告）日：2010-09-23

  Disclosed is a compound which is useful as an 11β-hydroxysteroid dehydrogenase type 1 inhibitor. A compound represented by the formula: , its pharmaceutically acceptable salt, or a solvate thereof, wherein Ring A is a group represented by the formula: Ring B is optionally substituted heteroaryl, provided that optionally substituted isoxazole is excluded, or optionally substituted heterocycle, R 1 is hydrogen or optionally substituted alkyl, R 2 is —OR 5 , —SR 5 , halogen, halogenated alkyl or the like, R 3 is optionally substituted alkyl or the like, R 4 is optionally substituted alkyl or the like, R 5 is optionally substituted alkyl or the like, R 6 is hydrogen or the like, R 7 and R 8 are each independently hydrogen or the like, R 10 and R 11 are each independently hydrogen or the like, R 12 is optionally substituted alkyl or the like, m and p are each independently integer of 1 to 3.
• US8383622B2
  申请人：——

  公开号：US8383622B2

  公开（公告）日：2013-02-26