基本情報
- 標準SMILES
CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC2CO2)C1- InChIKey
SYEZRHZJCHIWHV-UHFFFAOYSA-N- 分子式
- C18H18F3N3O2
- 平均分子量
- 365.3 g/mol
名称と識別子
- 優先名称
- 1-[1-Oxiranylmethyl-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone
- IUPAC
- 1-[1-(oxiran-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
名称と別名
1-[1-oxiranylmethyl-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanoneSCHEMBL29737881 -[1 -oxiranylmethyl-3-(4-trifluoromethyl- phenyl)-1,4,6,7-tetrahyd ro-pyrazolo[4,3-c]pyrid in-5-yl]-ethanone1-[1- oxiranylmethyl-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3- c]pyridin-5-yl]-ethanone1-[1-oxiranylmethyl-3-(4-trifluoromethyl -phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone1-[1-oxiranylmethyl-3-(4-trifluoromethyl- phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone1-[1-oxiranylmethyl-3-(4-trifluoromethyl-phenyl)-1,4,6,7- tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone
データベース識別子
- PubChem CID
- 22293817
物性
構造計算による物性
- XLogP
- 1.8
- 極性表面積
- 50.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 3
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 536
関連反応
43 件
化合物ノート
読み込み中…