4-Methyl-3,6-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-Methyl-3,6-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one
• 英文别名: 4-Methyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-one
• 化学式: C₁₉H₁₅N₃O
• 分子量: 301.348
• InChiKey: RZESOTJGDXWZKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  38.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-Formamido-4-phenyl-pyrazol 在 dimethyl sulfide borane 作用下， 生成 4-Methyl-3,6-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one
  参考文献：
  名称：

  Synthesis and BZR affinity of pyrazolo[1,5-a]pyrimidine derivatives. part 1: study of the structural features for BZR recognition

  摘要：

  Examination of the pharmacophoric points of the pyrazolo[1,5-a]pyrimidine derivatives, ligands for BZR, previously published led us to the design of a novel class of 3,6-diaryl-4,7-dihydro-pyrazolo[1,5-a]pyrimidin-7-ones and to determine the groups involved in the BZR recognition. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00232-1

文献信息

• Synthesis and BZR affinity of pyrazolo[1,5-a]pyrimidine derivatives. part 1: study of the structural features for BZR recognition
  作者：Silvia Selleri、Fabrizio Bruni、Camilla Costagli、Annarella Costanzo、Gabriella Guerrini、Giovanna Ciciani、Barbara Costa、Claudia Martini

  DOI：10.1016/s0968-0896(99)00232-1

  日期：1999.12

  Examination of the pharmacophoric points of the pyrazolo[1,5-a]pyrimidine derivatives, ligands for BZR, previously published led us to the design of a novel class of 3,6-diaryl-4,7-dihydro-pyrazolo[1,5-a]pyrimidin-7-ones and to determine the groups involved in the BZR recognition. (C) 1999 Elsevier Science Ltd. All rights reserved.