1,3-dimethylpyrazole-5-boronic acid

Product Information

Molecular Formula:
C5H9BN2O2
Molecular Weight:
139.95
Description
1,3-Dimethylpyrazole-5-boronic acid is a specialized compound used in biomedical research to synthesize novel drug molecules. It has proven to have important applications in the study of diseases involving abnormal cell proliferation, such as cancer.
Synonyms
(1,3-Dimethyl-1H-pyrazol-5-yl)boronic acid; (2,5-dimethylpyrazol-3-yl)boronic Acid; 1,3-dimethyl-1h-pyrazol-5-ylboronic acid; MFCD12407383; Boronic acid, (1,3-dimethyl-1H-pyrazol-5-yl)-; (2,5-dimethylpyrazol-3-yl)boronic acid; (1,3-Dimethyl-1H-pyrazol-5-yl)boronicacid; 1,3-dimethylpyrazole-5-boronic acid
IUPAC Name
(2,5-dimethylpyrazol-3-yl)boronic acid
Canonical SMILES
B(C1=CC(=NN1C)C)(O)O
InChI
InChI=1S/C5H9BN2O2/c1-4-3-5(6(9)10)8(2)7-4/h3,9-10H,1-2H3
InChI Key
RAAWPADCPXAWSK-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H302

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
140.0757077 g/mol
Monoisotopic Mass
140.0757077 g/mol
Topological Polar Surface Area
58.3Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
122
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
WO-2021113263-A1 Crf receptor antagonists and methods of use 2019-12-04
WO-2021064571-A1 N-substituted-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl derivatives as inhibitors of the human immunodeficiency virus replication 2019-10-01
CN-110818683-A 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 2018-08-10
EP-3655406-A1 Substituted pyrrolopyridine-derivatives 2017-07-18
TW-201908314-A Substituted pyrrolopyridine-derivative 2017-07-18
WO-2019016071-A1 SUBSTITUTED PYRROLOPYRIDINE DERIVATIVES 2017-07-18
BR-112019011035-A2 methods of using substituted pyrazole and pyrazole compounds and for the treatment of hyperproliferative diseases 2016-11-30
AU-2017260125-A9 Aromatic sulfonamide derivatives 2016-05-03
JP-2019519484-A Aromatic sulfonamide derivative 2016-05-03
The molarity calculator equation

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

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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