HCID594319

4-Bromo-3-phenyl-1H-pyrazol-5-amine

4-bromo-5-phenyl-1H-pyrazol-3-amine

C9H8BrN3238.08 g/molCAS 2845-78-5

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: Nc1n[nH]c(-c2ccccc2)c1Br
InChIKey: QTNVXMOPTHGCII-UHFFFAOYSA-N
分子式: C9H8BrN3
平均分子量: 238.08 g/mol
单同位素质量: 236.99016

COMPUTED

结构计算性质

等待补全

XLogP: 2.2
极性表面积: 54.7 Å²
氢键供体: 2
氢键受体: 2
可旋转键: 1
重原子: 13
形式电荷: 0
复杂度: 170

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 33 条

2845-78-54-BROMO-3-PHENYL-1H-PYRAZOL-5-AMINE4-Bromo-5-phenyl-1H-pyrazol-3-amine3-Amino-4-bromo-5-phenylpyrazole3-Amino-4-bromo-5-phenyl-1H-pyrazoleMFCD00082666Maybridge1_004579SCHEMBL2875437SCHEMBL4057416CHEMBL4228969HMS554I03DTXSID403440765-amino-4-bromo-3-phenylpyrazole4-bromo-3-phenylpyrazole-5-ylamine4-bromo-5-phenylpyrazole-3-ylamineSBB000763AKOS005198450AKOS005260133CCG-253189FS-3303

REACTIONS

参与反应

24 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看

uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07449576B1

查看

uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07449576B1

查看

uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07449576B1

查看

uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07449576B1

查看

uspto-grants-2003_05 · 10.6084/m9.figshare.5104873.v1 · US06559173B1

查看

uspto-grants-2003_05 · 10.6084/m9.figshare.5104873.v1 · US06559173B1

查看

uspto-grants-2003_05 · 10.6084/m9.figshare.5104873.v1 · US06559173B1

查看