(5-(4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-4-yl)methanone | 1251917-13-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (5-(4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-4-yl)methanone
• CAS: 1251917-13-1
• 化学式: C₂₁H₁₇N₃O₂
• 分子量: 343.385
• InChiKey: VIDCHKIYYQGIRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.78
• 重原子数：
  26.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  65.79
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  异烟肼 、 4-羟基查耳酮 在 溶剂黄146 作用下， 以68%的产率得到(5-(4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-4-yl)methanone
  参考文献：
  名称：

  Synthesis and Biological Evaluation of Some Novel 1, 3, 5-Trisubstituted Pyrazolines

  摘要：

  一系列新的香豆素类化合物（3a-j）通过在碱性条件下将简单的醛和取代的苯乙酮缩合而成。得到的香豆素类化合物在冰醋酸存在下与异烟肼（INH）环化，将产生标题化合物（4a-j）。这些新合成的化合物根据红外光谱、核磁共振和质谱数据进行了鉴定。所有最终的化合物都被评估其体外抗菌活性。

  DOI：

  10.1155/2010/415723

文献信息

• 10.14233/ajchem.2024.31666
  作者：Birudala, Geetha、Singh, Gurinderdeep、Nayeem, S. Abdur Rahman Junaid、Padmavathi、Pingali, Srinivasa Rao、Vaishali、Dighe, Rajendra Dnyandeo

  DOI：10.14233/ajchem.2024.31666

  日期：——

  This study explores the synthesis, in silico behaviour and antimicrobial activity of isoniazid derived 2-pyrazolines as potential drugs for tuberculosis and bacterial infections. The investigation encompasses the synthesis, computational studies for molecular behaviour and antimicrobial efficacy assessment. Incorporating established drugs like isoniazid is explored to enhance their pharmacological properties. The synthesized compounds were characterized by analytical techniques such as IR, NMR, mass spectral analysis and elemental analysis. Synthesized pyrazolines 4a-j were evaluated for in vitro antitubercular and antibacterial activities against various biological strains. In silico analysis provides valuable insights into ADMET descriptors, confirming good pharmacokinetic properties. This suggests these compounds as templates for developing new anti-mycobacterial agents, guiding the design of novel compounds with improved therapeutic potential.
• Synthesis and Biological Evaluation of Some Novel 1, 3, 5-Trisubstituted Pyrazolines
  作者：B. C. Revanasiddappa、R. Nagendra Rao、E. V. S. Subrahmanyam、D. Satyanarayana

  DOI：10.1155/2010/415723

  日期：——

  A new series of chalcones (3a-j) were synthesized by condensation of simple aldehydes with substituted acetophenones in presence of alkali. The resulted chalcones upon cyclization in presence of glacial acetic acid with isoniazid (INH) will yields the title compounds (4a-j). The newly synthesized compounds were assigned on the basis of IR,¹H NMR, and Mass spectral data. All the final compounds were evaluated for theirin vitroantimicrobial activity.

  一系列新的香豆素类化合物（3a-j）通过在碱性条件下将简单的醛和取代的苯乙酮缩合而成。得到的香豆素类化合物在冰醋酸存在下与异烟肼（INH）环化，将产生标题化合物（4a-j）。这些新合成的化合物根据红外光谱、核磁共振和质谱数据进行了鉴定。所有最终的化合物都被评估其体外抗菌活性。