1,3-Dimethylpyrazole-5-boronic Acid
Product Information
Molecular Formula
C5H9N2O2B
Molecular Weight
139.95
Description
1,3-Dimethylpyrazole-5-boronic Acid (CAS# 847818-68-2) is a useful research chemical.
Synonyms
(2,5-dimethyl-3-pyrazolyl)boronic acid; (2,5-dimethylpyrazol-3-yl)boronic acid
IUPAC Name
(2,5-dimethylpyrazol-3-yl)boronic acid
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
Appearance
Solid
LogP
-1.59170
Safety Information
Hazards
H302
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
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 |
