CAS 924869-27-2|CAS 230301-11-8|tert-butyl 2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate|tert-Butyl 2,4,6,7-tetrahydro-5H-pyrazolo-[4,3-c]pyridine-5-carboxylate|tert-butyl 2H,4H,6H,7H-pyrazol...

基本信息

化学结构

分子式

C₁₁H₁₇N₃O₂

分子量

223.27158

精确质量

223.1320768

电荷

InChI

InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-9-8(7-14)6-12-13-9/h6H,4-5,7H2,1-3H3,(H,12,13)

InChIKey

BHYPERDTLBCHAE-UHFFFAOYSA-N

Canonic Smiles

O=C(N1CCc2c(C1)c[nH]n2)OC(C)(C)C

Isomeric Smiles

c12c(n[nH]c2)CCN(C(=O)OC(C)(C)C)C1

计算属性

JChem

Acid pKa

13.805996

质子受体

质子供体

LogD (pH = 5.5)

0.85007006

LogD (pH = 7.4)

0.8501586

Log P

0.8501599

摩尔折射率

61.286

极化性

23.064371

极化表面积

58.22

可自由旋转的化学键

里宾斯基五规则

true

数据来源

产品目录

学术数据

数据来源

名称和标识

IUPAC标准名

tert-butyl 2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate tert-butyl 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate

别名

tert-Butyl 2,4,6,7-tetrahydro-5H-pyrazolo-[4,3-c]pyridine-5-carboxylate5-Boc-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridinetert-Butyl 2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate2,4,6,7-Tetrahydro-5H-pyrazolo[4,3-c]pyridine, N5-BOC protectedtert-Butyl 6,7-dihydro-2H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylatetert-butyl 2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate

IUPAC传统名

tert-butyl 2H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate tert-butyl 1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate

名称和标识

数据登录号

MDL号

MFCD08689720MFCD08059268

CAS号

924869-27-2230301-11-8

PubChem SID

162048458

PubChem CID

10398680