HCID46738021

1-(Propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C12H21BN2O2236.12 g/molCAS 879487-10-2

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IDENTITY

结构与身份

标准SMILES: CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cn1
InChIKey: OGYYMVGDKVJYSU-UHFFFAOYSA-N
分子式: C12H21BN2O2
平均分子量: 236.12 g/mol
单同位素质量: 236.1696081

COMPUTED

结构计算性质

已同步

极性表面积: 36.3 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 2
重原子: 17
形式电荷: 0
复杂度: 278

ALIASES

名称与别名

共 40 条

DTXSID506741741-(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleRefChem:1054757DTXCID60624923879487-10-21-Isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-Isopropyl-1H-pyrazole-4-boronic acid pinacol esterMFCD118678811-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole1-(1-Methylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-isopropylpyrazole-4-boronic acid pinacol ester1-(propan-2-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1H-Pyrazole, 1-(1-Methylethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1-Isopropyl-1H-pyrazol-4-boronic acid, pinacol ester(1-ISOPROPYL-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER1-isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole1-Isopropyl-1H-pyrazole-4-boronic acid pinacolester4,4,5,5-tetramethyl-2-[1-(methylethyl)pyrazol-4-yl]-1,3,2-dioxaborolaneSCHEMBL87595765K2Z25CVA

REACTIONS

参与反应

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

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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08198448B2

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2015_08 · 10.6084/m9.figshare.5104873.v1 · US09108970B2

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uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09181255B2

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uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08987268B2

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