HCID46196891

Phenyl 3-tert-butyl-1-(4-fluorophenyl)-1h-pyrazol-5-ylcarbamate

phenyl N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamate

C20H20FN3O2353.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c2ccc(F)cc2)n1
InChIKey: ZZIPMAITDYMCKF-UHFFFAOYSA-N
分子式: C20H20FN3O2
平均分子量: 353.4 g/mol
单同位素质量: 353.15395505

COMPUTED

结构计算性质

已同步

XLogP: 5.2
极性表面积: 56.2 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 5
重原子: 26
形式电荷: 0
复杂度: 468

ALIASES

名称与别名

共 7 条

SCHEMBL1793950ZZIPMAITDYMCKF-UHFFFAOYSA-Nphenyl 3-tert-butyl-1-(4-fluorophenyl)-1h-pyrazol-5-ylcarbamate871557-51-6DB-343963phenyl 3-tert-butyl-1-(4-fluorophenyl)-1H-pyrazol-5-yl-carbamate[5-tert-butyl-2-(4-fluoro-phenyl)-2-H-pyrazol-3-yl]carbamic acid phenyl ester

REACTIONS

参与反应

4 条

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

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

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uspto-grants-2009_12 · 10.6084/m9.figshare.5104873.v1 · US07625922B2

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uspto-grants-2009_12 · 10.6084/m9.figshare.5104873.v1 · US07625922B2

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