1H-Pyrazole-5-boronic acid
Product Information
Molecular Formula
C3H5BN2O2
Molecular Weight
111.90
Description
1H-Pyrazole-5-boronic acid denotes a pharmaceutical precursor poised for utilization within the sphere of medical research. Embodied as an intricate building unit, its primary deployment centers around the synthesis of oncology-focused pharmaceuticals, meticulously engineered to block specific varieties of kinases instrumental in disease progression.
Synonyms
Pyrazole-3-boronic acid; (1H-Pyrazol-3-yl)boronic acid; 1H-Pyrazol-3-ylboronic acid; 1H-Pyrazole-3-Boronic Acid; 1H-PYRAZOLE-5-BORONIC ACID; (1H-pyrazol-5-yl)boronic acid; 1H-pyrazol-5-ylboronic acid; 1H-Pyrazol-3-yl boronic acid; pyrazol-3-ylboronic acid; 1H-pyrazol-5-yl-5-boronic acid; Boronic acid, 1H-pyrazol-3-yl-; pyrazole-3-boronic; pyrazoleboronic acid; pyrazole boronic acid; 3-Pyrazoleboronicacid; 3-pyrazole boronic acid; 5-pyrazole boronic acid; pyrazole-5-boronic acid; 3-Pyrazole-boronic acid; 1H-pyrazole boronic acid; 1H-pyrazol-3-boronic acid
IUPAC Name
1H-pyrazol-5-ylboronic acid
SMILES
B(C1=CC=NN1)(O)O
InChI
InChI=1S/C3H5BN2O2/c7-4(8)3-1-2-5-6-3/h1-2,7-8H,(H,5,6)
InChI Key
NEUWPDLMDVINSN-UHFFFAOYSA-N
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
112.0444076 g/mol
Monoisotopic Mass
112.0444076 g/mol
Topological Polar Surface Area
69.1Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
79.7
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 |
|---|---|---|
| CN-113444069-A | 2-aryl-4- (1H-pyrazol-3-yl) pyridine LSD1/HDAC double-target inhibitor | 2021-07-07 |
| CN-114014890-A | Compound with RIP2 kinase inhibitory activity, pharmaceutical composition containing same, and application thereof | 2021-03-12 |
| CN-113321645-A | 5-aminoisoxazole derivative and application thereof in preparation of multi-kinase inhibitor | 2021-01-07 |
| CN-112645878-A | N-containing compound with specific response to pressure stimulation, preparation method and application | 2020-12-14 |
| WO-2022017515-A1 | Diarylamine compound, preparation method therefor and application thereof | 2020-07-24 |
| WO-2022002243-A1 | Imidazopyrimidine derivative, preparation method therefor and medical use thereof | 2020-07-02 |
| WO-2021263278-A1 | Rev-erb agonists for the treatment of th17-mediated inflammatory disorders | 2020-06-23 |
| WO-2021244505-A1 | New pyrazine compound | 2020-06-01 |
| WO-2021233397-A1 | Piperazine cyclic ureas | 2020-05-20 |
| CN-113149996-A | Polycyclic amide derivative serving as CDK9 inhibitor, and preparation method and application thereof | 2020-05-12 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22917519 | 2012-09-15 | Inhibitor scaffold for the histone lysine demethylase KDM4C (JMJD2C) | Bioorganic & medicinal chemistry letters |
