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1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazol-5-ylboronic acid

1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazol-5-ylboronic acid

Inquiry

Molecular Formula:

C8H13BN2O3

Molecular Weight:

196.01

Product Information

Molecular Formula:

C8H13BN2O3

Molecular Weight:

196.01

Description

1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazol-5-ylboronic acid is a boronic acid derivative used for Suzuki-Miyaura cross-coupling reactions. Relevant in the development of therapeutic compounds for treatment of cancer, bacterial and viral infections.

Synonyms

1-(Tetrahydropyran-2-yl)pyrazole-5-boronic acid; (1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazol-5-yl)boronic acid; [2-(oxan-2-yl)pyrazol-3-yl]boronic acid; [1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-5-yl]boronic acid; 1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazol-5-yl-5-boronic acid; [1-(Oxan-2-yl)-1H-pyrazol-5-yl]boronic acid; 1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-5-ylboronic acid; 3-boronic acid-2-(tetrahydropyran-2-yl)-1H-pyrazole; (1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazol-5-yl)boronicacid; 1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazol-5-ylboronic acid

IUPAC Name

[2-(oxan-2-yl)pyrazol-3-yl]boronic acid

Canonical SMILES

B(C1=CC=NN1C2CCCCO2)(O)O

InChI

InChI=1S/C8H13BN2O3/c12-9(13)7-4-5-10-11(7)8-3-1-2-6-14-8/h4-5,8,12-13H,1-3,6H2

InChI Key

YRADCPLKXBTOTI-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H302

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

196.1019224 g/mol

Monoisotopic Mass

196.1019224 g/mol

Topological Polar Surface Area

67.5Å²

Heavy Atom Count

Formal Charge

Complexity

193

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-113861115-A	Pyrazole amide derivative, and synthesis method and application thereof	2021-09-10
WO-2021208918-A1	Tricyclic compounds as egfr inhibitors	2020-04-14
WO-2021190727-A1	Compounds and their use in the treatment of bacterial infection	2020-03-24
WO-2021114691-A1	Nitrogen-containing ring-fused compound, preparation method therefor and use thereof	2019-12-13
CN-114096529-A	Chemical process	2019-05-16
WO-2020150115-A1	Nlrp3 modulators	2019-01-14
WO-2020150116-A1	Nlrp3 modulators	2019-01-14
CN-113286786-A	NLRP3 modulators	2019-01-14
CN-113286787-A	NLRP3 modulators	2019-01-14
KR-20210114983-A	NLRP3 modulators	2019-01-14

The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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