HCID1491284

ethyl 1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate

ethyl 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylate

C14H15FN2O2262.28 g/molCAS 477710-46-6

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C
InChIKey: KRXPEHMOMPCHLF-UHFFFAOYSA-N
分子式: C14H15FN2O2
平均分子量: 262.28 g/mol
单同位素质量: 262.11175589

COMPUTED

结构计算性质

已同步

XLogP: 3
极性表面积: 44.1 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 4
重原子: 19
形式电荷: 0
复杂度: 319

ALIASES

名称与别名

共 11 条

477710-46-6ethyl 1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylateethyl 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylateMFCD02083006SCHEMBL6052477KRXPEHMOMPCHLF-UHFFFAOYSA-NDTXSID601175032AKOS0050836021R-0639ethyl 1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxylateethyl1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate

REACTIONS

参与反应

2 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID96227

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

作为反应物

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

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HRID1744475

uspto-grants-2006_03

作为反应物

uspto-grants-2006_03 · 10.6084/m9.figshare.5104873.v1 · US07015218B1

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