1-isopropyl-5-methyl-1H-pyrazole-3-carboxylic acid | 50920-49-5

• 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-isopropyl-5-methyl-1H-pyrazole-3-carboxylic acid
• 英文别名: 1-Isopropyl-5-methyl-1H-pyrazol-3-carbonsaeure；1-isopropyl-5-methyl-1H-pyrazole-3-carboxylic acid；5-methyl-1-propan-2-ylpyrazole-3-carboxylic acid
• CAS: 50920-49-5
• 化学式: C₈H₁₂N₂O₂
• mdl: MFCD08700675
• 分子量: 168.195
• InChiKey: XHVNUVQADNZGTF-UHFFFAOYSA-N

物化性质

• 沸点：
  303.2±22.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-isopropyl-5-methyl-1H-pyrazole-3-carboxylic acid 在 氯化亚砜 作用下， 生成 1-isopropyl-5-methyl-1H-pyrazole-3-carbonyl chloride
  参考文献：
  名称：

  Über Pyrazol-karbonsäure-amide

  摘要：

  DOI：

  10.1002/ardp.19432810403
• 作为产物：
  描述：

  1-isopropyl-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester 在 甲醇 、 sodium hydroxide 、 水 作用下， 生成 1-isopropyl-5-methyl-1H-pyrazole-3-carboxylic acid
  参考文献：
  名称：

  Über Pyrazol-karbonsäure-amide

  摘要：

  DOI：

  10.1002/ardp.19432810403

文献信息

• [EN] PYRIDYLTRIAZOLES<br/>[FR] PYRIDYLTRIAZOLES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2011117382A1

  公开（公告）日：2011-09-29

  The present invention encompasses compounds of general formula (1) wherein the groups R0 to R3 and L are defined as in claim 1, which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, pharmaceutical preparations which contain such compounds and their use as medicaments.

  本发明涵盖了一般式（1）中的化合物，其中基团R0至R3和L的定义如索赔1中所述，适用于治疗以细胞过度或异常增殖为特征的疾病，包括含有这种化合物的药物制剂以及它们作为药物的用途。
• [EN] B-RAF KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASE B-RAF
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2011117381A1

  公开（公告）日：2011-09-29

  The present invention encompasses compounds of general formula (1) where in the groups R0to R3 and L are defined as in claim 1, which are suitable for the 5 treatment of diseases characterised by excessive or abnormal cell proliferation, pharmaceutical preparations which contain compounds of this kind and their use as medicaments.

  本发明涵盖了一般式（1）中的化合物，其中基团R0至R3和L的定义如权利要求书中所述，这些化合物适用于治疗以细胞过度或异常增殖为特征的疾病，包含这种化合物的药物制剂以及它们作为药物的用途。
• NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS
  申请人：Kinzel Olaf

  公开号：US20140221659A1

  公开（公告）日：2014-08-07

  The present invention relates to compounds which bind to the NR1H4 receptor (FXR) and act as agonists of FXR. The invention further relates to the use of the compounds for the preparation of a medicament for the treatment of diseases and/or conditions through binding of said nuclear receptor by said compounds and to a process for the synthesis of said compounds.

  本发明涉及结合NR1H4受体（FXR）并作为FXR激动剂的化合物。该发明还涉及利用这些化合物制备药物以治疗疾病和/或病况，通过这些化合物结合所述核受体，并涉及这些化合物的合成过程。
• [EN] NOVEL FXR (NR1H4) MODULATING COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS MODULANT FXR (NR1H4)
  申请人：GILEAD SCIENCES INC

  公开号：WO2016096116A1

  公开（公告）日：2016-06-23

  The present invention relates to compounds which bind to the NR1 H4 receptor (FXR) and act as agonists of FXR. The invention further relates to the use of the compounds for the preparation of a medicament for the treatment of diseases and/or conditions through binding of said nuclear receptor by said compounds and to a process for the synthesis of said compounds.

  本发明涉及结合NR1 H4受体（FXR）并作为FXR激动剂的化合物。该发明还涉及利用这些化合物制备药物以治疗疾病和/或症状，通过这些化合物结合所述核受体来实现，并涉及这些化合物的合成过程。
• B-RAF KINASE INHIBITORS
  申请人：Steurer Steffen

  公开号：US20130190286A1

  公开（公告）日：2013-07-25

  The present invention encompasses compounds of general formula (1) where in the groups R 0 to R 3 and L are defined as in claim 1 , which are suitable for the 5 treatment of diseases characterised by excessive or abnormal cell proliferation, pharmaceutical preparations which contain compounds of this kind and their use as medicaments.

  本发明涵盖了通式（1）的化合物，其中R0到R3和L的定义如权利要求1所述，适用于治疗由过度或异常细胞增殖所特征的疾病，包含这种化合物的制药制剂以及它们作为药物的使用。