1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-5-BORONIC ACID
Product Information
Molecular Formula
C5H6BF3N2O2
Molecular Weight
193.9195496
Description
1-Methyl-3-trifluoromethylpyrazole-5-boronic Acid is a reagent commonly employed in biomedical research. Notably, it serves as an intermediate in the synthesis of pharmaceuticals, especially drugs targeting oncological diseases, leveraging its ability to bind with proteins easily.
Synonyms
1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-5-BORONIC ACID; AKOS BRN-1191
IUPAC Name
[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid
SMILES
B(C1=CC(=NN1C)C(F)(F)F)(O)O
InChI
InChI=1S/C5H6BF3N2O2/c1-11-4(6(12)13)2-3(10-11)5(7,8)9/h2,12-13H,1H3
InChI Key
XPUNXPPXMANQGF-UHFFFAOYSA-N
Melting Point
132-137 °C
Flash Point
Not applicable
Purity
98%
Storage
2-8°C
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
194.0474421 g/mol
Monoisotopic Mass
194.0474421 g/mol
Topological Polar Surface Area
58.3Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
189
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-2021191359-A1 | Monoacylglycerol lipase modulators | 2020-03-26 |
| US-2020392116-A1 | SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS | 2019-06-17 |
| JP-2022509765-A | 5-Hydroxy-7-oxabicyclo [2.2.1] heptane-2-carboxamide derivative for inducing cartilage formation to treat joint injury | 2018-12-06 |
| CN-114174265-A | Substituted heterocycles as c-MYC targeting agents | 2018-08-31 |
| JP-2022511287-A | Substituted heterocyclic compound as a c-MYC targeting agent | 2018-08-31 |
| US-2021395206-A1 | SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS | 2018-08-31 |
| BR-112020025538-A2 | CYANOTRIAZOL COMPOUNDS AND USES OF THE SAME | 2018-06-19 |
| CN-112313217-A | Cyanotriazole compounds and use thereof | 2018-06-19 |
| KR-20210022646-A | Cyanotriazole compounds and uses thereof | 2018-06-19 |
| US-2019343838-A1 | Kras g12c inhibitors and methods of using the same | 2018-05-04 |
