1-Phenyl-1h-pyrazole-4-thiol | 1152604-45-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-Phenyl-1h-pyrazole-4-thiol
• 英文别名: 1-phenylpyrazole-4-thiol
• CAS: 1152604-45-9
• 化学式: C₉H₈N₂S
• 分子量: 176.24
• InChiKey: XNVOGOLQPSOUAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  18.8
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS
  申请人：CTXT PTY LTD

  公开号：US20170313713A1

  公开（公告）日：2017-11-02

  A compound of formula (1a), (1b) or (1c) wherein: n is 1 or 2; R N is H or Me; R 1 is optionally one or more halo or methyl groups; R 1 and R 2b are independently selected from the group consisting of: (i) F; (ii) H; (iii) Me; and (iv) CH 2 OH; R 2c and R 2d (if present) are independently selected from the group consisting of: (i) F; (ii) H; (iii) Me; and (iv) CH 2 OH; R 3a and R 3b are independently selected from H and Me; R 4a is selected from OH, —NH 2 , —C(═O)NH 2 , and —CH 2 OH; R 4b is either H or Me; R 5 is either H or Me; A is either (i) optionally substituted phenyl; (ii) optionally substituted naphthyl; or (iii) optionally substituted C 5-12 heteroaryl.