CAS 936250-20-3|3-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole|3-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole|3-Methylpyrazole-4-boronic acid, pinacol ester|5-Methyl-4-(4...

基本信息

化学结构

分子式

C₁₀H₁₇BN₂O₂

分子量

208.06518

精确质量

208.13830819

电荷

InChI

InChI=1S/C10H17BN2O2/c1-7-8(6-12-13-7)11-14-9(2,3)10(4,5)15-11/h6H,1-5H3,(H,12,13)

InChIKey

MSJAEFFWTBMIKT-UHFFFAOYSA-N

Canonic Smiles

Cc1[nH]ncc1B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

O1C(C(OB1c1c([nH]nc1)C)(C)C)(C)C

计算属性

JChem

Acid pKa

10.392188

质子受体

质子供体

LogD (pH = 5.5)

2.3979897

LogD (pH = 7.4)

2.3979566

Log P

2.3984

摩尔折射率

53.992

极化性

22.579262

极化表面积

47.14

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC传统名

3-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 3-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrazole

IUPAC标准名

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

别名

3-Methylpyrazole-4-boronic acid, pinacol ester5-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole5-Methyl-1H-pyrazole-4-boronic acid, pinacol ester 96%3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole3-Methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole3-甲基-4-(4,4,5,5-四甲基-[1,3,2]二氧杂戊硼烷-2-基)-1H-吡唑3-甲基-1H-吡唑-4-硼酸频哪醇酯3-Methyl-1H-pyrazole-4-boronic acid pinacol ester

名称和标识

数据登录号

CAS号

MDL号

PubChem CID

PubChem SID

数据登录号

化合物性质