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3-(Trifluoromethyl)-1h-pyrazole-4-boronic acid, pinacol ester

3-(Trifluoromethyl)-1h-pyrazole-4-boronic acid, pinacol ester

Inquiry

Molecular Formula:

C10H14BF3N2O2

Molecular Weight:

262.0

CAS Number:

1218790-40-9

Catalog Number:

1218790-40-9

Product Information

Molecular Formula:

C10H14BF3N2O2

Molecular Weight:

262.0

Description

3-(Trifluoromethyl)-1H-pyrazole-4-boronic acid, pinacol ester is a vital compound widely employed in the biomedical industry. This product acts as a potent inhibitor targeting specific enzymes involved in various diseases, including cancer and autoimmune disorders. It exhibits exceptional pharmacological properties, making it an essential component in the development of novel drugs for the treatment of these ailments.

Synonyms

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1H-pyrazole; 1218790-40-9; 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole; 3-(Trifluoromethyl)-1H-pyrazole-4-boronicacid,pinacolester; 3-Trifluoromethyl-1H-pyrazole-4-boronicacidpinacolester; 3-(Trifluoromethyl)-1h-pyrazole-4-boronicacidpinacolester

IUPAC Name

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

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(NN=C2)C(F)(F)F

InChI

InChI=1S/C10H14BF3N2O2/c1-8(2)9(3,4)18-11(17-8)6-5-15-16-7(6)10(12,13)14/h5H,1-4H3,(H,15,16)

InChI Key

WHYPQJYBTNZKBY-UHFFFAOYSA-N

Melting Point

151-155 °C

Flash Point

Not applicable

Purity

96%

Storage

2-8°C

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

262.1100423 g/mol

Monoisotopic Mass

262.1100423 g/mol

Topological Polar Surface Area

47.1Å²

Heavy Atom Count

Formal Charge

Complexity

320

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
WO-2022043486-A1	Imidazole-pyrazole derivatives as antibacterials	2020-08-31
WO-2021249896-A1	Novel imidazopyrazine derivatives	2020-06-09
WO-2021219578-A1	Antibacterial 8-phenylamino-3-(pyrazol-4-yl)imidazo[1,2-a]pyrazine derivatives	2020-04-29
US-2020290998-A1	Novel imidazole-pyrazole derivatives	2019-03-08
CN-113613722-A	Novel imidazole-pyrazole derivatives	2019-03-08
WO-2020106685-A1	Macrocyclic inhibitors of dyrk1a	2018-11-19
AU-2019385397-A1	Macrocyclic inhibitors of DYRK1A	2018-11-19
EP-3883573-A1	Macrocyclic inhibitors of dyrk1a	2018-11-19
EA-038453-B1	6-6-CONDENSED BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS LATS INHIBITORS	2018-03-29
WO-2019149660-A1	Triazolopyrimidine derivatives for use as ghrelin o-acyl transferase (goat) inhibitors	2018-02-02

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

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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