CAS 139756-02-8|4-Amino-1-methyl-3-N-propyl-1H-pyrazole-5-carboxamide|4-amino-2-methyl-5-propylpyrazole-3-carboxamide|4-amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide|4-氨基-1-甲基-3-正丙基吡唑-5-...

基本信息

化学结构

分子式

C₈H₁₄N₄O

分子量

182.22296

精确质量

182.11676109

电荷

InChI

InChI=1S/C8H14N4O/c1-3-4-5-6(9)7(8(10)13)12(2)11-5/h3-4,9H2,1-2H3,(H2,10,13)

InChIKey

PZMXDLWWQHYXGY-UHFFFAOYSA-N

Canonic Smiles

CCCc1nn(c(c1N)C(=O)N)C

Isomeric Smiles

n1(nc(c(c1C(=O)N)N)CCC)C

计算属性

JChem

LogD (pH = 7.4)

0.27

LogD (pH = 5.5)

0.21

Log P

0.27

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

4.64

极化表面积

86.93

极化性

19.75

摩尔折射率

62.44

LOG S

-0.86

数据来源

名称和标识

别名

4-Amino-1-methyl-3-N-propyl-1H-pyrazole-5-carboxamide4-氨基-1-甲基-3-正丙基吡唑-5-甲酰胺4-Amino-2-methyl-5-propyl-2H-pyrazole-3-carboxylic acid amide4-Amino-1-methyl-3-n-propyl-5-pyrazolecarboxamide4-氨基-1-甲基-3-正丙基-1H-吡唑-5-羧酰胺4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide4-Amino-2-methyl-5-propyl-2H-pyrazole-3-carboxamide4-amino-1-methyl-3-propylpyrazole-5-carboxamide3-n-propyl-4-amino-5-carboxamido-N-methylpyrazole4-amino-1-methyl-3-n-propylpyrazole-5-carboxamide

IUPAC传统名

4-amino-2-methyl-5-propylpyrazole-3-carboxamide

IUPAC标准名

4-amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide

名称和标识

数据登录号

MDL号

MFCD02927682

CAS号

139756-02-8

PubChem SID

2487809816203477992741932