1-Methyl-3-nitro-4-pyrazolcarboxamid | 39205-70-4

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 1-Methyl-3-nitro-4-pyrazolcarboxamid
• 英文别名: 1-methyl-3-nitro-4-pyrazole-carboxamide；1-methyl-3-nitro-1H-pyrazole-4-carboxamide；1-methyl-3-nitropyrazole-4-carboxamide
• CAS: 39205-70-4
• 化学式: C₅H₆N₄O₃
• 分子量: 170.128
• InChiKey: ZIDNELAAGGUUFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-Methyl-3-nitro-pyrazol-4-carbonylisocyanat 生成 1-Methyl-3-nitro-4-pyrazolcarboxamid
  参考文献：
  名称：

  Immune-stimulating 1-(N-acylcarbamoyl)-2-cyanoaziridines

  摘要：

  公式为##STR1##的1-(N-酰基-氨基甲酰)-2-氰基环氧丙烷，其中X为氧或硫，Z为氢或有机基团，Y为羰基、磺酰基、磺胺基、磺基、磷酰基或磷酸酰基基团，及其盐，具有免疫刺激和抗癌活性。

  公开号：

  US04282212A1

文献信息

• Anti-bacterial compositions containing certain 3-nitropyrazoles
  申请人：Eli Lilly and Company

  公开号：US04066776A1

  公开（公告）日：1978-01-03

  Novel 1,4-disubstituted-3-nitropyrazoles having antimicrobial, parasiticidal, and herbicidal activity are prepared by a reaction sequence of which the individual steps are conventional. The new 3-nitropyrazoles are characterized by a 1-substituent and a usually carbonyl-containing 4-substituent. The novel 3(5)-nitro-4-pyrazole-carbonitrile is obtained as an intermediate in the preparation of the biologically-active compounds. Preferred compounds are 1-alkyl or -alkenyl-4-pyrazolecarboxamides and carbonitriles. The new compounds are particularly useful for the control of bacterial animal diseases.

  制备具有抗微生物、杀寄生虫和除草活性的新型1,4-二取代-3-硝基吡唑的方法是通过一系列反应步骤完成的，这些步骤是常规的。这些新的3-硝基吡唑具有1-取代基和通常含有羰基的4-取代基。在制备生物活性化合物的过程中，获得了新型的3(5)-硝基-4-吡唑-碳腈中间体。优选化合物是1-烷基或-烯基-4-吡唑甲酰胺和碳腈。这些新化合物特别适用于控制细菌动物疾病。
• 3-Nitropyrazole derivatives
  申请人：Eli Lilly and Company

  公开号：US04145554A1

  公开（公告）日：1979-03-20

  Novel 1,4-disubstituted-3-nitropyrazoles having antimicrobial, parasiticidal, and herbicidal activity are prepared by a reaction sequence of which the individual steps are conventional. The new 3-nitropyrazoles are characterized by a 1-substituent and a usually carbonyl-containing 4-substituent. The novel 3(5)-nitro-4-pyrazolecarbonitrile is obtained as an intermediate in the preparation of the biologically-active compounds. Preferred compounds are 1-alkyl or -alkenyl-4-pyrazolecarboxamides and carbonitriles. The new compounds are particularly useful for the control of bacterial animal diseases.

  具有抗微生物、杀虫和除草活性的新型1,4-二取代-3-硝基吡唑酮类化合物通过常规反应序列制备。新的3-硝基吡唑酮类化合物具有1-取代基和通常含有羰基的4-取代基。生物活性化合物的制备中，新的3（5）-硝基-4-吡唑基碳腈是中间体。首选的化合物是1-烷基或-烯基-4-吡唑羧酸酰胺和碳腈。新的化合物特别适用于控制细菌动物疾病。