N,N-dimethyl-4[1-phenyl-3-(pyridin-3-yl)-4,5-dihydro-1Hpyrazol-5-yl]benzenamine | 1347755-34-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N-dimethyl-4[1-phenyl-3-(pyridin-3-yl)-4,5-dihydro-1Hpyrazol-5-yl]benzenamine
• 英文别名: N,N-dimethyl-4-(2-phenyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl)aniline
• CAS: 1347755-34-3
• 化学式: C₂₂H₂₂N₄
• 分子量: 342.443
• InChiKey: GQZWWRMRSOPDBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  31.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(3'-pyridyl)-3-(4''-N,N-dimethylaminophenyl)-2-propen-1-one 、 苯肼 反应 0.05h， 以76%的产率得到N,N-dimethyl-4[1-phenyl-3-(pyridin-3-yl)-4,5-dihydro-1Hpyrazol-5-yl]benzenamine
  参考文献：
  名称：

  Synthesis anti-inflammatory and anticancer activity evaluation of some pyrazole and oxadiazole derivatives

  摘要：

  Pyrazole derivatives IIa-l have been synthesized by condensation of chalcones Ia-f with hydrazine hydrate and phenyl hydrazine under microwave irradiation in good yields. Oxadiazole derivatives IVa-f have been synthesized by condensation of N'-hydroxypicolinamidine, N'-hydroxy isonicotinamidine, N'-hydroxypyrazine-2-carboxamidine with 2,5 dimethoxybenzaldehyde and 3-methoxy-4-hydroxy benzaldehyde, respectively. Structures assigned to IIa-l and IVa-f are fully supported by correct spectral and analytical data. All compounds (IIa-l & IVa-f) have been screened for anti-inflammatory and anticancer activities. Compounds IIj, IIk, and IVb exhibited good anti-inflammatory activity, while, IIa, c, j, and IVd showed better anticancer activity against four and three cancer cell lines, respectively.

  DOI：

  10.1007/s00044-011-9850-7

文献信息

• Synthesis anti-inflammatory and anticancer activity evaluation of some pyrazole and oxadiazole derivatives
  作者：Sham M. Sondhi、Sandeep Kumar、Nikhil Kumar、Partha Roy

  DOI：10.1007/s00044-011-9850-7

  日期：2012.10

  Pyrazole derivatives IIa-l have been synthesized by condensation of chalcones Ia-f with hydrazine hydrate and phenyl hydrazine under microwave irradiation in good yields. Oxadiazole derivatives IVa-f have been synthesized by condensation of N'-hydroxypicolinamidine, N'-hydroxy isonicotinamidine, N'-hydroxypyrazine-2-carboxamidine with 2,5 dimethoxybenzaldehyde and 3-methoxy-4-hydroxy benzaldehyde, respectively. Structures assigned to IIa-l and IVa-f are fully supported by correct spectral and analytical data. All compounds (IIa-l & IVa-f) have been screened for anti-inflammatory and anticancer activities. Compounds IIj, IIk, and IVb exhibited good anti-inflammatory activity, while, IIa, c, j, and IVd showed better anticancer activity against four and three cancer cell lines, respectively.