HCID67342971

1-(3,4,5-Trifluoro-benzyl)-1H-pyrazol-3-ylamine

1-[(3,4,5-trifluorophenyl)methyl]pyrazol-3-amine

C10H8F3N3227.19 g/mol

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IDENTITY

结构与身份

标准SMILES: Nc1ccn(Cc2cc(F)c(F)c(F)c2)n1
InChIKey: WKUWKZTYQWCIFA-UHFFFAOYSA-N
分子式: C10H8F3N3
平均分子量: 227.19 g/mol
单同位素质量: 227.06703175

COMPUTED

结构计算性质

等待补全

XLogP: 1.8
极性表面积: 43.8 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 2
重原子: 16
形式电荷: 0
复杂度: 229

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 6 条

1225445-06-6SCHEMBL2272722WKUWKZTYQWCIFA-UHFFFAOYSA-NDB-1796311-(3,4,5-Trifluoro-benzyl)-1H-pyrazol-3-ylamine[1-(3,4,5-Trifluorobenzyl)-1h-pyrazol-3-yl]amine

REACTIONS

参与反应

6 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08486967B2

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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uspto-grants-2012_10 · 10.6084/m9.figshare.5104873.v1 · US08288403B2

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uspto-grants-2012_10 · 10.6084/m9.figshare.5104873.v1 · US08288403B2

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