N-(5(3)-methylpyrazol-3-(5)-yl)-2,6-dimethylbenzamide | 165333-66-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(5(3)-methylpyrazol-3-(5)-yl)-2,6-dimethylbenzamide
• 英文别名: N-(5-methylpyrazol-3-yl)-2,6,dimethyl benzamide；2,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
• CAS: 165333-66-4
• 化学式: C₁₃H₁₅N₃O
• 分子量: 229.282
• InChiKey: AXDHXPGGAAIHRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  57.8
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  乙酰氯 、 N-(5(3)-methylpyrazol-3-(5)-yl)-2,6-dimethylbenzamide 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以63%的产率得到N-(1-acetyl-3-methylpyrazol-5-yl)-2,6-dimethylbenzamide
  参考文献：
  名称：

  Preparation, structural analysis and anticonvulsant activity of 3- and 5-aminopyrazole N-benzoyl derivatives

  摘要：

  Some unsymmetrical N-exocyclic and N-endocyclic derivatives from benzoylation of 3- and 5-aminopyrazole were prepared with the aim of comparing their anticonvulsant activity towards the MES and scMET tests. Unambiguous proof of their structure was obtained from heteronuclear long-range correlation spectroscopy and NOE difference spectra, Only the N-exo-pyrazole benzamides showed good protection with respect to these tests.

  DOI：

  10.1016/0223-5234(96)88220-1
• 作为产物：
  描述：

  N-(1,5-dimethylpyrazol-3-yl)-2,6-dimethylbenzamide 在 吡啶盐酸盐 作用下， 反应 2.0h， 以22%的产率得到N-(5(3)-methylpyrazol-3-(5)-yl)-2,6-dimethylbenzamide
  参考文献：
  名称：

  Preparation, structural analysis and anticonvulsant activity of 3- and 5-aminopyrazole N-benzoyl derivatives

  摘要：

  Some unsymmetrical N-exocyclic and N-endocyclic derivatives from benzoylation of 3- and 5-aminopyrazole were prepared with the aim of comparing their anticonvulsant activity towards the MES and scMET tests. Unambiguous proof of their structure was obtained from heteronuclear long-range correlation spectroscopy and NOE difference spectra, Only the N-exo-pyrazole benzamides showed good protection with respect to these tests.

  DOI：

  10.1016/0223-5234(96)88220-1

文献信息

• N(pyrazol-3-yl) benzamides and pharmaceutical compositions
  申请人：Novapharme

  公开号：US05464860A1

  公开（公告）日：1995-11-07

  The invention relates to a compound useful for treating epilepsy selected from the compounds of the general formula: ##STR1## in which R.sub.1 is C.sub.1 -C.sub.4 alkyl, R.sub.2 is C.sub.1 -C.sub.4 alkyl, R.sub.3 is selected from hydrogen, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy and C.sub.1 -C.sub.4 hydroxyalkyl, and R.sub.4 is selected from hydrogen, C.sub.1 -C.sub.4 alkyl, C.sub.2 -C.sub.7 alkanoyl and C.sub.1 -C.sub.4 hydroxyalkyl.

  本发明涉及用于治疗癫痫的化合物，选自具有以下通式的化合物：##STR1## 其中，R.sub.1 是C.sub.1 -C.sub.4烷基，R.sub.2 是C.sub.1 -C.sub.4烷基，R.sub.3 选自氢、C.sub.1 -C.sub.4烷基、C.sub.1 -C.sub.4烷氧基和C.sub.1 -C.sub.4羟基烷基，R.sub.4 选自氢、C.sub.1 -C.sub.4烷基、C.sub.2 -C.sub.7烷酰基和C.sub.1 -C.sub.4羟基烷基。
• US5464860A
  申请人：——

  公开号：US5464860A

  公开（公告）日：1995-11-07
• Preparation, structural analysis and anticonvulsant activity of 3- and 5-aminopyrazole N-benzoyl derivatives
  作者：V Michon、C Hervé du Penhoat、F Tombret、JM Gillardin、F Lepage、L Berthon

  DOI：10.1016/0223-5234(96)88220-1

  日期：1995.1

  Some unsymmetrical N-exocyclic and N-endocyclic derivatives from benzoylation of 3- and 5-aminopyrazole were prepared with the aim of comparing their anticonvulsant activity towards the MES and scMET tests. Unambiguous proof of their structure was obtained from heteronuclear long-range correlation spectroscopy and NOE difference spectra, Only the N-exo-pyrazole benzamides showed good protection with respect to these tests.