3-Methylpyrazole-4-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C10H17N2O2B
Molecular Weight
208.07
Description
3-Methylpyrazole-4-boronic Acid Pinacol Ester (CAS# 936250-20-3) is a useful research chemical.
Synonyms
5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
IUPAC Name
5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(NN=C2)C
InChI
InChI=1S/C10H17BN2O2/c1-7-8(6-12-13-7)11-14-9(2,3)10(4,5)15-11/h6H,1-5H3,(H,12,13)
InChI Key
MSJAEFFWTBMIKT-UHFFFAOYSA-N
Boiling Point
350.3 °C at 760 mmHg
Melting Point
129-134 °C
Purity
95 %
Density
1.07 g/cm3
Storage
Inert atmosphere, 2-8 °C
LogP
1.01730
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
208.1383080 g/mol
Monoisotopic Mass
208.1383080 g/mol
Topological Polar Surface Area
47.1Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
242
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2021395251-A1 | Naphthyridinone compounds as jak2 v617f inhibitors | 2020-06-19 |
| WO-2021257857-A1 | Naphthyridinone compounds as jak2 v617f inhibitors | 2020-06-19 |
| WO-2021244997-A1 | Novel imidazopyrazne derivatives | 2020-06-01 |
| WO-2021233397-A1 | Piperazine cyclic ureas | 2020-05-20 |
| WO-2021149692-A1 | Novel antimalarial agent containing heterocyclic compound | 2020-01-21 |
| WO-2021143729-A1 | Compound, composition and functional molecule with multi-target inhibiting effect and use thereof | 2020-01-15 |
| WO-2021113492-A1 | Cyclic compounds and methods of using same | 2019-12-06 |
| CN-112851668-A | ATR inhibitor and application thereof in medicine | 2019-11-27 |
| US-2021107901-A1 | Bicyclic amines as cdk2 inhibitors | 2019-10-11 |
| WO-2021072232-A1 | Bicyclic amines as cdk2 inhibitors | 2019-10-11 |
