1-ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

HCID 68995348

基本情報

標準SMILES
CCn1cc(B2OC(C)(C)C(C)(C)O2)c(-c2ccc([N+](=O)[O-])cc2)n1
InChIKey
BNJLOSTYUZRZME-UHFFFAOYSA-N
分子式
C17H22BN3O4
平均分子量
343.2 g/mol

名称と識別子

優先名称
1-ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
IUPAC
1-ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

名称と別名

942920-11-81-ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazoleMFCD12400854SCHEMBL4305414C17H22BN3O4BNJLOSTYUZRZME-UHFFFAOYSA-NCS-M0101AKOS030621713CS-13313DA-29420SY355794
名称をさらに表示
A50969F7884861-Ethyl-3-(4-nitrophenyl)-1H-pyrazole-4-boronic Acid Pinacol Ester1-Ethyl-3-(4-nitrophenyl)-pyrazole-4-boronic Acid Pinacol Ester1-ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole1-ethyl-3-(4-nitrophenyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole3-(4-nitrophenyl)-1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

データベース識別子

PubChem CID
68995348

物性

構造計算による物性

極性表面積
82.1 Ų
水素結合供与体数
0
水素結合受容体数
5
回転可能結合数
3
重原子数
25

関連反応

40 件

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