1-(Hydroxyethyl)pyrazole-4-boronic Acid Pinacol Ester - CAS 1040377-08-9
Catalog: |
BB001309 |
Product Name: |
1-(Hydroxyethyl)pyrazole-4-boronic Acid Pinacol Ester |
CAS: |
1040377-08-9 |
Synonyms: |
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyrazolyl]ethanol; 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanol |
IUPAC Name: | 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanol |
Description: | 1-(Hydroxyethyl)pyrazole-4-boronic Acid Pinacol Ester (CAS# 1040377-08-9) is a useful research chemical. |
Molecular Weight: | 238.09 |
Molecular Formula: | C11H19N2O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCO |
InChI: | InChI=1S/C11H19BN2O3/c1-10(2)11(3,4)17-12(16-10)9-7-13-14(8-9)5-6-15/h7-8,15H,5-6H2,1-4H3 |
InChI Key: | QEHDAUWYRNEWBF-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
MDL: | MFCD12033564 |
LogP: | 0.17460 |
Publication Number | Title | Priority Date |
CN-112010860-A | Benzyloxypyrazolopyrimidine compounds, pharmaceutical compositions and uses thereof | 20200805 |
WO-2021163254-A1 | Heterocyclic pad4 inhibitors | 20200212 |
WO-2021152165-A1 | Macrocyclic rip2-kinase inhibitors | 20200131 |
US-2021188807-A1 | Compounds active towards nuclear receptors | 20191220 |
US-2021171535-A1 | Tricyclic heterocycles as fgfr inhibitors | 20191204 |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.1488726 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.1488726 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 56.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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