4-Pyrazoleboronic Acid
Product Information
Molecular Formula
C3H5N2O2B
Molecular Weight
111.90
Description
May contain varying amounts of anhydride.
Synonyms
1H-pyrazol-4-ylboronic acid; 1H-pyrazol-4-ylboronic acid
IUPAC Name
1H-pyrazol-4-ylboronic acid
SMILES
B(C1=CNN=C1)(O)O
InChI
InChI=1S/C3H5BN2O2/c7-4(8)3-1-5-6-2-3/h1-2,7-8H,(H,5,6)
InChI Key
KEZNMOUMHOZFRA-UHFFFAOYSA-N
Boiling Point
430.353 °C at 760 mmHg
Melting Point
146-151 °C
Purity
≥ 95.0 %
Density
1.41 g/cm3
Storage
2-8 °C
LogP
-1.91050
Safety Information
Hazards
H315 - H319 - H335
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
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-113336751-A | High-efficiency salt-induced kinase inhibitor and preparation method thereof | 2021-05-31 |
| CN-112898306-A | Preparation method of barretinib | 2021-02-02 |
| CN-112645878-A | N-containing compound with specific response to pressure stimulation, preparation method and application | 2020-12-14 |
| CN-112500580-A | Preparation method and application of cobalt-based metal organic framework catalyst for activating oxygen molecules | 2020-11-30 |
| WO-2022055963-A1 | Heterocyclic pericondensed cdc7 kinase inhibitors for the treatment of cancer | 2020-09-10 |
| WO-2022048631-A1 | Compound having antitumor activity and use thereof | 2020-09-04 |
| WO-2022051765-A1 | Agonists of stimulator of interferon genes sting | 2020-09-02 |
| CN-114057770-A | Bifunctional compounds targeting EGFR protein degradation | 2020-08-06 |
| CN-113968856-A | Compounds with kinase inhibition activity | 2020-07-23 |
| WO-2022017434-A1 | Compound having kinase inhibitory activity | 2020-07-23 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21088793 | 2011-01-14 | Synthesis, carbohydrate- and DNA-binding studies of cationic 2,2':6',2''-terpyridineplatinum(II) complexes containing N- and S-donor boronic acid ligands | Dalton transactions (Cambridge, England : 2003) |
