3-(Trifluoromethyl)-1h-pyrazole-4-boronic acid, pinacol ester
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
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
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
262.1100423 g/mol
Monoisotopic Mass
262.1100423 g/mol
Topological Polar Surface Area
47.1Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
320
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-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 |
