3-[5-Methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propionaldehyde

HCID 22293897

基本情報

標準SMILES
CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCC=O)C1
InChIKey
ZZDDVUDBWCTPJV-UHFFFAOYSA-N
分子式
C17H18F3N3O3S
平均分子量
401.4 g/mol

名称と識別子

優先名称
3-[5-Methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propionaldehyde
IUPAC
3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanal

名称と別名

3-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propionaldehydeSCHEMBL29822723-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl) -4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propionaldehyde3-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)- 4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propionaldehyde

データベース識別子

PubChem CID
22293897

物性

構造計算による物性

XLogP
1.3
極性表面積
80.7 Ų
水素結合供与体数
0
水素結合受容体数
8
回転可能結合数
5
重原子数
27

関連反応

47 件

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