1-Ethylpyrazole-5-boronic Acid - CAS 1095080-54-8
Catalog: |
BB002504 |
Product Name: |
1-Ethylpyrazole-5-boronic Acid |
CAS: |
1095080-54-8 |
Synonyms: |
(2-ethyl-3-pyrazolyl)boronic acid; (2-ethylpyrazol-3-yl)boronic acid |
IUPAC Name: | (2-ethylpyrazol-3-yl)boronic acid |
Description: | 1-Ethylpyrazole-5-boronic Acid (CAS# 1095080-54-8) is a useful research chemical. |
Molecular Weight: | 139.95 |
Molecular Formula: | C5H9N2O2B |
Canonical SMILES: | B(C1=CC=NN1CC)(O)O |
InChI: | InChI=1S/C5H9BN2O2/c1-2-8-5(6(9)10)3-4-7-8/h3-4,9-10H,2H2,1H3 |
InChI Key: | ZMKALWZRSCXBEY-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
LogP: | -1.41720 |
Publication Number | Title | Priority Date |
CN-113121528-A | Multi-target inhibition compound, composition, functional molecule and application thereof | 20200115 |
WO-2021143729-A1 | Compound, composition and functional molecule with multi-target inhibiting effect and use thereof | 20200115 |
US-2020270244-A1 | Pyrazolopyridines and triazolopyridines as a2a / a2b inhibitors | 20190129 |
WO-2020159905-A1 | Pyrazolopyridines and triazolopyridines as a2a / a2b inhibitors | 20190129 |
TW-202043226-A | Pyrazolopyridines and triazolopyridines as a2a / a2b inhibitors | 20190129 |
Complexity: | 112 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.0757077 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.0757077 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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