3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Product Information
Molecular Formula
C9H15BN2O2
Molecular Weight
194.04
Description
1H-Pyrazole-5-boronic acid pinacol ester is a boronic ester compound primarily used in medical research. It is instrumental in the synthesis of potential therapeutic agents, particularly for the development of antiviral drugs, and can be used to develop therapeutic drugs for viral diseases including bird flu or HIV.
Synonyms
1H-Pyrazole-3-boronic acid pinacol ester; Pyrazole-3-boronic acid pinacol ester
IUPAC Name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2
InChI
InChI=1S/C9H15BN2O2/c1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7/h5-6H,1-4H3,(H,11,12)
InChI Key
KWLOIDOKWUESNM-UHFFFAOYSA-N
Boiling Point
335.373±15.00 °C
Flash Point
Not applicable
Purity
95%
Density
1.091±0.10 g/cm3
Related CAS
844501-71-9
Safety Information
Hazards
H301
Precautionary Statement
P301 + P310
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
194.1226579 g/mol
Monoisotopic Mass
194.1226579 g/mol
Topological Polar Surface Area
47.1Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
217
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 |
|---|---|---|
| WO-2021238999-A1 | Fluoropyrrolopyridine compound and application thereof | 2020-05-29 |
| US-2021338683-A1 | Treatment of viral infections with combination of pikfyve kinase inhibitors and tmprss-2 inhibitors | 2020-05-01 |
| WO-2021214469-A1 | H4 antagonist compounds | 2020-04-22 |
| WO-2021163727-A1 | Pikfyve kinase inhibitors | 2020-02-11 |
| US-2021261587-A1 | STRAD-binding agents and Uses Thereof | 2020-01-30 |
| WO-2021142203-A1 | Nlrp3 modulators | 2020-01-10 |
| WO-2021133689-A2 | Lipoxygenase inhibitors | 2019-12-23 |
| WO-2021114691-A1 | Nitrogen-containing ring-fused compound, preparation method therefor and use thereof | 2019-12-13 |
| US-2021171529-A1 | Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use | 2019-11-25 |
| US-2021188874-A1 | Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use | 2019-11-25 |
