3-Amino-1-methylcarbamoyl-pyrazol | 54408-75-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 亚胺内酰胺
• 英文名称: 3-Amino-1-methylcarbamoyl-pyrazol
• 英文别名: 3-amino-pyrazole-1-carboxylic acid methylamide；3-Amino-1-N-methylcarbamoylpyrazol；3-amino-N-methyl-1H-pyrazole-1-carboxamide；3-amino-N-methylpyrazole-1-carboxamide
• CAS: 54408-75-2
• 化学式: C₅H₈N₄O
• mdl: MFCD18809504
• 分子量: 140.145
• InChiKey: HDCVPMXTJDGUIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  72.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Amino-1-methylcarbamoyl-pyrazol 反应 0.5h， 以78%的产率得到N,N'-Bis(pyrazol-3-yl)-harnstoff
  参考文献：
  名称：

  Acylwanderungen am 3(5)-Amino-pyrazol

  摘要：

  3(5)-Amino-pyrazole 1 form 3 isomeric monoacylation products, 4 diacylation products and 3 triacylation products by reaction with electrophiles like cyanates, isocyanates or carboxylic and chlorides, respectively. Acyl migrations are observed depending on the reaction temperature and the structure of the acyl residue. The structures of the acyl derivatives of 3(5)-amino-pyrazole were characterized by nmr-spectroscopy.

  DOI：

  10.1002/prac.19933350703
• 作为产物：
  描述：

  异氰酸甲酯 、 3-氨基吡唑 以 乙酸乙酯 为溶剂， 以12%的产率得到3-Amino-1-methylcarbamoyl-pyrazol
  参考文献：
  名称：

  Acylwanderungen am 3(5)-Amino-pyrazol

  摘要：

  3(5)-Amino-pyrazole 1 form 3 isomeric monoacylation products, 4 diacylation products and 3 triacylation products by reaction with electrophiles like cyanates, isocyanates or carboxylic and chlorides, respectively. Acyl migrations are observed depending on the reaction temperature and the structure of the acyl residue. The structures of the acyl derivatives of 3(5)-amino-pyrazole were characterized by nmr-spectroscopy.

  DOI：

  10.1002/prac.19933350703

文献信息

• Acylwanderungen am 3(5)-Amino-pyrazol
  作者：Heinz Graubaum

  DOI：10.1002/prac.19933350703

  日期：——

  3(5)-Amino-pyrazole 1 form 3 isomeric monoacylation products, 4 diacylation products and 3 triacylation products by reaction with electrophiles like cyanates, isocyanates or carboxylic and chlorides, respectively. Acyl migrations are observed depending on the reaction temperature and the structure of the acyl residue. The structures of the acyl derivatives of 3(5)-amino-pyrazole were characterized by nmr-spectroscopy.