5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1-propyl-1H-pyrazole
Product Information
Molecular Formula
C11H19BN2O2
Molecular Weight
222.09
Description
5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1-propyl-1H-pyrazole is an immensely influential and paradigm-shifting biomedical entity that holds immense potential in alleviating multifarious afflictions. This extraordinary therapeutic agent, owing to its distinctive molecular configuration, possesses remarkable prowess in precisely targeting and obstructing specific enzymes implicated in the advancement of oncological and inflammatory maladies.
Synonyms
5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-propylpyrazole; 5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1-propyl-1H-pyrazole
IUPAC Name
5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-propylpyrazole
SMILES
B1(OCC(CO1)(C)C)C2=CC=NN2CCC
InChI
InChI=1S/C11H19BN2O2/c1-4-7-14-10(5-6-13-14)12-15-8-11(2,3)9-16-12/h5-6H,4,7-9H2,1-3H3
InChI Key
FFTMJZDZNIVUSW-UHFFFAOYSA-N
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
222.1539580 g/mol
Monoisotopic Mass
222.1539580 g/mol
Topological Polar Surface Area
36.3Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
228
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
