3-oxo-nonanoic acid (2H-pyrazol-3-yl)-amide | 676556-33-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-oxo-nonanoic acid (2H-pyrazol-3-yl)-amide
• 英文别名: 3-oxo-N-(1H-pyrazol-5-yl)nonanamide
• CAS: 676556-33-5
• 化学式: C₁₂H₁₉N₃O₂
• 分子量: 237.302
• InChiKey: DDGCDMDTXGDNBF-UHFFFAOYSA-N

物化性质

• 沸点：
  488.8±25.0 °C(Predicted)
• 密度：
  1.147±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  74.8
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Modulation of Pathogenicity
  申请人：Ammendola Aldo

  公开号：US20070093534A1

  公开（公告）日：2007-04-26

  The present invention relates to the use of compounds of the general Formula (XIII): wherein A 7 is C═O, C═S, SO 2 , CH—OR 13 , C═NR 12 , or CH 2 —CHOR 13 ; A 8 is C(R 14 ) 2 , O, S, or NR 12 ; A 9 is C═O, C═S, SO 2 , CH—OR 13 , C═NR 12 , or CH 2 —CHOR 13 ; m is 0, or 1 q is 0, or 1 r is 0, or 1 R 12 is H, CH 3 , CH 2 —CH 3 , C 6 H 5 , OCH 3 , OCH 2 —CH 3 , OH, or SH; R 13 is H, CH 3 , or CH 2 —CH 3 ; R 14 is H, alkyl, alkoxy, OH, or SH;
• Modulation of pathogcnicity
  申请人：Ammendola Aldo

  公开号：US20080194588A1

  公开（公告）日：2008-08-14

  The present invention relates to the use of compounds of the general Formula (I): wherein in Formula (I), R is H, alkyl, cycloalkyl, aryl or heteroaryl; R 1 is H, alkyl, cycloalkyl, aryl or heteroaryl; R 2 is H, alkyl, cycloalkyl, aryl or heteroaryl; A 1 and A 2 each independently represent an optionally substituted C 1 -C 20 -alkyl group which may contain one or more group(s) Z, or a monocyclic or polycyclic optionally substituted aromatic or non-aromatic ring system which may contain one or more group(s) X, and in case of a polycyclic ring system, said system contains at least one aromatic ring; Z is selected from the group consisting of S, O, N, NR 4 , CO, CO 2 , CS, SO or SO 2 X is selected from the group consisting of S, O, N, NR 4 , SO or SO 2 ;
• Modulation of pathogenicity
  申请人：Ammendola Aldo

  公开号：US20080176938A1

  公开（公告）日：2008-07-24

  The present invention relates to the use of compounds of the general Formula (1): wherein in Formula (1), R is H, alkyl, cycloalkyl, aryl or heteroaryl; R 1 is H, alkyl, cycloalkyl, aryl or heteroaryl; R 2 is H, alkyl, cycloalkyl, aryl or heteroaryl; A 1 and A 2 each independently represent an optionally substituted C 1 -C 20 -alkyl group which may contain one or more group(s) Z, or a monocyclic or polycyclic optionally substituted aromatic or non-aromatic ring system which may contain one or more group(s) X, and in case of a polycyclic ring system, said system contains at least one aromatic ring; Z is selected from the group consisting of S, O, N, NR 4 , CO, CO 2 , CS, SO or SO 2 X is selected from the group consisting of S, O, N, NR 4 , SO or SO 2 .
• US7335779B2
  申请人：——

  公开号：US7335779B2

  公开（公告）日：2008-02-26
• US7338969B2
  申请人：——

  公开号：US7338969B2

  公开（公告）日：2008-03-04