1H-Pyrazole-5-boronic acid pinacol ester

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
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 1086111-17-2; 1H-Pyrazole-3-boronic acid pinacol ester; Pyrazole-3-boronic acid pinacol ester; 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE)-PYRAZOLE; 1H-PYRAZOLE-5-BORONIC ACID PINACOL ESTER; 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; Pyrazole-3-boronic acid, pinacol ester
IUPAC Name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Canonical 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
Flash Point
Not applicable

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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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