HCID136017878

Ethyl 1-(6-(2-hydroxy-5-methylphenyl)pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

ethyl 1-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

C19H16F3N3O3391.3 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1cnn(-c2cccc(-c3cc(C)ccc3O)n2)c1C(F)(F)F
InChIKey: NPFQYGXZTDQRDK-UHFFFAOYSA-N
分子式: C19H16F3N3O3
平均分子量: 391.3 g/mol
单同位素质量: 391.11437587

COMPUTED

结构计算性质

已同步

XLogP: 4
极性表面积: 77.2 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 5
重原子: 28
形式电荷: 0
复杂度: 548

ALIASES

名称与别名

共 7 条

1128268-25-6Ethyl 1-(6-(2-hydroxy-5-methylphenyl)pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateEthyl 1-[6-(2-Hydroxy-5-methylphenyl)-2-pyridyl]-5-(trifluoromethyl)pyrazole-4-carboxylateEthyl 1-[6-(2-hydroxy-5-methylphenyl)pyridin-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateSCHEMBL1781519IRXDADDJCYNAQT-UHFFFAOYSA-NDB-400877

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

HRID1114488

Training data from https://doi.org/10.1039/C8SC04228D (7/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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HRID1891222

uspto-grants-2013_08

作为反应物

uspto-grants-2013_08 · 10.6084/m9.figshare.5104873.v1 · US08507512B2

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