HCID178493223

4-nitro-1H-pyrazole-3-carboxylic acid (2-amino-4,5-dimethoxy-phenyl)-amide

N-(2-amino-4,5-dimethoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide

C12H13N5O5307.26 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc(N)c(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1OC
InChIKey: FIKZOLWDFYESHR-UHFFFAOYSA-N
分子式: C12H13N5O5
平均分子量: 307.26 g/mol
单同位素质量: 307.09166853

COMPUTED

结构计算性质

已同步

XLogP: 0.5
极性表面积: 148 Å²
氢键供体: 3
氢键受体: 7
可旋转键: 4
重原子: 22
形式电荷: 0
复杂度: 417

ALIASES

名称与别名

共 6 条

SCHEMBL545817FIKZOLWDFYESHR-UHFFFAOYSA-NDB-0883944-nitro-1H-pyrazole-3-carboxylic acid (2-amino-4,5-dimethoxy-phenyl)-amide4-nitro-1H-pyrazole-3-carboxylic acid (2-amino-4,5-dimethoxy-phenyl)- amide896466-65-2

REACTIONS

参与反应

9 条

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2011_07 · 10.6084/m9.figshare.5104873.v1 · US07977477B2

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uspto-grants-2011_07 · 10.6084/m9.figshare.5104873.v1 · US07977477B2

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uspto-grants-2014_07 · 10.6084/m9.figshare.5104873.v1 · US08778936B2

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uspto-grants-2012_02 · 10.6084/m9.figshare.5104873.v1 · US08110573B2

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uspto-grants-2012_02 · 10.6084/m9.figshare.5104873.v1 · US08110573B2

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uspto-grants-2013_03 · 10.6084/m9.figshare.5104873.v1 · US08399442B2

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uspto-grants-2013_03 · 10.6084/m9.figshare.5104873.v1 · US08399442B2

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