1-(2-Acetoxyethyl)pyrazole-4-boronic Acid Pinacol Ester - CAS 1251731-71-1
Catalog: |
BB006082 |
Product Name: |
1-(2-Acetoxyethyl)pyrazole-4-boronic Acid Pinacol Ester |
CAS: |
1251731-71-1 |
Synonyms: |
acetic acid 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyrazolyl]ethyl ester; 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl acetate |
IUPAC Name: | 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl acetate |
Description: | 1-(2-Acetoxyethyl)pyrazole-4-boronic Acid Pinacol Ester (CAS# 1251731-71-1 ) is a useful research chemical. |
Molecular Weight: | 280.13 |
Molecular Formula: | C13H21N2O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCOC(=O)C |
InChI: | InChI=1S/C13H21BN2O4/c1-10(17)18-7-6-16-9-11(8-15-16)14-19-12(2,3)13(4,5)20-14/h8-9H,6-7H2,1-5H3 |
InChI Key: | CGAGMVSOBGQIPT-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
TW-202012409-A | Fused pyrazine derivatives as A2A/A2B inhibitors | 20180705 |
BR-112021000075-A2 | PIRAZINE DERIVATIVES MELTED AS A2A / A2B INHIBITORS | 20180705 |
JP-2019501140-A | Bicyclic BET bromodomain inhibitors and uses thereof | 20151125 |
TW-I688564-B | Macrocycles with hetrocyclic p2' groups as factor xia inhibitors | 20140131 |
TW-202037595-A | Macrocycles with hetrocyclic p2ʹ groups as factor xia inhibitors | 20140131 |
Complexity: | 359 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.1594373 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.1594373 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 62.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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