HCID46832484

3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrrolidin-1-yl)ethoxy)benzenamine

3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)aniline

C16H22N4O286.37 g/mol

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IDENTITY

结构与身份

标准SMILES: Cn1nccc1-c1cc(N)ccc1OCCN1CCCC1
InChIKey: AGHKCDHRAWIIAF-UHFFFAOYSA-N
分子式: C16H22N4O
平均分子量: 286.37 g/mol
单同位素质量: 286.17936134

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 56.3 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 5
重原子: 21
形式电荷: 0
复杂度: 321

ALIASES

名称与别名

共 4 条

SCHEMBL1166182AGHKCDHRAWIIAF-UHFFFAOYSA-N3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrrolidin-1-yl)ethoxy)benzenamine3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-pyrrolidin-1-yl-ethoxy)-phenylamine

REACTIONS

参与反应

11 条

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

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2011_02 · 10.6084/m9.figshare.5104873.v1 · US07884101B2

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uspto-grants-2011_02 · 10.6084/m9.figshare.5104873.v1 · US07884101B2

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uspto-grants-2011_02 · 10.6084/m9.figshare.5104873.v1 · US07884101B2

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uspto-grants-2011_02 · 10.6084/m9.figshare.5104873.v1 · US07884101B2

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uspto-grants-2014_07 · 10.6084/m9.figshare.5104873.v1 · US08785441B2

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uspto-grants-2014_07 · 10.6084/m9.figshare.5104873.v1 · US08785441B2

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