1,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid | 132465-62-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid
• 英文别名: 1,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid；1,5-Diphenyl-4,5-dihydro-1H-pyrazol-3-carbonsaeure；1.5-Diphenyl-Δ²-pyrazolin-carbonsaeure-(3)；2,3-diphenyl-3,4-dihydropyrazole-5-carboxylic acid
• CAS: 132465-62-4
• 化学式: C₁₆H₁₄N₂O₂
• mdl: MFCD09863276
• 分子量: 266.299
• InChiKey: NXFXMRQTSCVALM-UHFFFAOYSA-N

物化性质

• 熔点：
  192-193 °C
• 沸点：
  454.7±48.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  52.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid 在 氯化亚砜 作用下， 生成 1,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid anilide
  参考文献：
  名称：

  2,3-PYRROLIDINEDIONES. VI. REACTIONS WITH PHENYLHYDRAZINE

  摘要：

  DOI：

  10.1021/jo01364a002
• 作为产物：
  描述：

  4-苯基-2-苯基亚肼基-丁-3-烯酸 在 溶剂黄146 作用下， 生成 1,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid
  参考文献：
  名称：

  v. Auwers; Heimke, Justus Liebigs Annalen der Chemie, 1927, vol. 458, p. 209

  摘要：

  DOI：

文献信息

• Substituted Pyrazoline Compounds for Reducing Triglycerides in Blood
  申请人：Cuberes Altisen Rosa

  公开号：US20080207637A1

  公开（公告）日：2008-08-28

  The present invention relates to substituted pyrazoline compounds, methods for their preparation, medicaments comprising these compounds as well as their use for the preparation of a medicament for the treatment of humans and animal.

  本发明涉及取代吡唑烷化合物、其制备方法、包含这些化合物的药物以及它们用于制备用于治疗人类和动物的药物的用途。
• Giua, Gazzetta Chimica Italiana, 1919, vol. 49 II, p. 171
  作者：Giua

  DOI：——

  日期：——
• Diaryl Dihydropyrazole-3-carboxamides with Significant In Vivo Antiobesity Activity Related to CB1 Receptor Antagonism:  Synthesis, Biological Evaluation, and Molecular Modeling in the Homology Model
  作者：Brijesh Kumar Srivastava,*、Amit Joharapurkar、Saurin Raval、Jayendra Z. Patel、Rina Soni、Preeti Raval、Archana Gite、Amitgiri Goswami、Nisha Sadhwani、Neha Gandhi、Harilal Patel、Bhupendra Mishra、Manish Solanki、Bipin Pandey、Mukul R. Jain、Pankaj R. Patel

  DOI：10.1021/jm061490u

  日期：2007.11.1

  A number of analogues of diaryl dihydropyrazole-3-carboxamides have been synthesized. Their activities were evaluated for appetite suppression and body weight reduction in animal models. Depending on the chemical modification of the selected dihydropyrazole scaffold, the lead compounds-the bisulfate salt,of (+/-)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid morpholin-4-ylamide 26 and the bisulfate salt of (-)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazole3-carboxylic acid morpholin-4-ylamide 30-showed significant body weight reduction in vivo, which is attributed to their CB1 antagonistic activity and exhibited a favorable pharmacokinetic profile. The molecular modeling studies also showed interactions of two isomers of (+/-)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)4,5-dihydro- 1H-pyrazole-3-carboxylic acid morpholin-4-ylamide 9 with CB I receptor in the homology model similar to those of N-piperidino-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-pyrazole-carboxarnide (rimonabant) 1 and 4S-(-)-3-(4-chlorophenyl)-N-methyl-N'-[(4-chlorophenyl)-sulfonyl]-4-pheny1-4,5-dihydro-1H-pyrazole-1-carboxamidine (SLV-319) 2.
• US7998996B2
  申请人：——

  公开号：US7998996B2

  公开（公告）日：2011-08-16
• [EN] SUBSTITUTED PYRAZOLINE COMPOUNDS: METHODS FOR THEIR PREPARATION<br/>[FR] COMPOSES A BASE DE PYRAZOLINE SUBSTITUES, LEURS PROCEDES DE PREPARATION
  申请人：ESTEVE LABOR DR

  公开号：WO2007009710A2

  公开（公告）日：2007-01-25

  [EN] Methods for obtaining the substituted pyrazoline compounds of general formula (Ia) as well as the intermediates of general formula (III) to this compound. Thus 5-(R¹⁰,R¹¹,R¹²-phenyl)-1-(R¹³,R¹⁴,R¹⁵-phenyl)-N-(piperidin-1-yl)-4,5-dihydro-1H- pyrazole-3-carboxamide (II) can be obtained by the reaction of an activated carbonyl compound derived from 5-(R¹⁰,R¹¹,R¹²-phenyl)-1-(R¹³,R¹⁴,R¹⁵-phenyl)-4,5-dihydro- 1H-pyrazole-3-carboxylic acid (IIIa) with N-aminopiperidine in the presence or absence of an acid acceptor or suitable condensing agent.
  [FR] La présente invention a trait à des procédés pour l'obtention de composés à base de pyrazoline substitués de formule générale (Ia), ainsi qu'à des intermédiaires de formule générale (III) à ce composé. Ainsi, le 5- (R¹⁰,R¹¹,R¹²-phényl)-1-(R¹³,R¹⁴,R¹⁵-phényl)-N-(pipéridin-1-yl)-4,5-dihydro-1H- pyrazole-3-carboxamide (II) peut être obtenu par la réaction d'un composé carbonyle activé dérivé de l'acide 5-(R¹⁰,R¹¹,R¹²-phényl)-1-(R¹³,R¹⁴,R¹⁵-phényl)-4,5-dihydro- 1H-pyrazole-3-carboxylique (IIIa) avec N-aminopipéridine en présence ou en l'absence d'un accepteur d'acide ou d'un agent de condensation approprié.