1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazol-5-ylboronic acid
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
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
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
196.1019224 g/mol
Monoisotopic Mass
196.1019224 g/mol
Topological Polar Surface Area
67.5Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
193
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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 |
|---|---|---|
| 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 |
