(5-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-4-yl)methanone | 1373494-69-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (5-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-4-yl)methanone
• 英文别名: [3-[3-(4-Chlorophenyl)-1-phenyl-pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-pyridyl)methanone；[3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
• CAS: 1373494-69-9
• 化学式: C₃₀H₂₂ClN₅O
• 分子量: 503.991
• InChiKey: FAJJCWKCYYLOKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  63.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  异烟肼 、 3-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1-phenylpropenone 以 溶剂黄146 为溶剂， 以76%的产率得到(5-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-4-yl)methanone
  参考文献：
  名称：

  Synthesis and antimicrobial activity of some (3-phenyl-5-(1-phenyl-3-aryl-1H-pyrazol-4-yl)-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-4-yl)methanones: new derivatives of 1,3,5-trisubstituted pyrazolines

  摘要：

  A series of (3-phenyl-5-(1-phenyl-3-aryl-1H-pyrazol-4-yl)-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-4-yl) methanones was synthesized by condensing suitably substituted chalcones, i.e., 3-(3-aryl-1-phenyl-1H-pyrazol-4-yl)-1-phenylprop-2-en-1-ones, and isoniazid in acetic acid. The structure of newly synthesized compounds has been established on the basis of analytical and spectral data. The new compounds were screened for antimicrobial activity and most of them showed good activity comparable with that of standard drugs ciprofloxacin and fluconazole. Compounds containing methoxy group showed high antimicrobial activity.

  DOI：

  10.1007/s00044-012-0045-7

文献信息

• Synthesis and antimicrobial activity of some (3-phenyl-5-(1-phenyl-3-aryl-1H-pyrazol-4-yl)-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-4-yl)methanones: new derivatives of 1,3,5-trisubstituted pyrazolines
  作者：Satyender Kumar、Meenakshi、Sunil Kumar、Parvin Kumar

  DOI：10.1007/s00044-012-0045-7

  日期：2013.1

  A series of (3-phenyl-5-(1-phenyl-3-aryl-1H-pyrazol-4-yl)-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-4-yl) methanones was synthesized by condensing suitably substituted chalcones, i.e., 3-(3-aryl-1-phenyl-1H-pyrazol-4-yl)-1-phenylprop-2-en-1-ones, and isoniazid in acetic acid. The structure of newly synthesized compounds has been established on the basis of analytical and spectral data. The new compounds were screened for antimicrobial activity and most of them showed good activity comparable with that of standard drugs ciprofloxacin and fluconazole. Compounds containing methoxy group showed high antimicrobial activity.