1-[1,3]Dioxolan-2-ylmethyl-1H-pyrazole-4-boronic acid, pinacol ester
Product Information
Molecular Formula
C13H21BN2O4
Molecular Weight
280.13
Description
1-[1,3]Dioxolan-2-ylmethyl-1H-pyrazole-4-boronic acid, pinacol ester is a specialty chemical used in pharmaceutical production. Primarily, it's employed as an intermediate in the synthesis of various drug molecules, especially in the development of anti-cancer drugs.
Synonyms
1-(1,3-Dioxolan-2-ylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 1-[1,3]DIOXOLAN-2-YLMETHYL-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER; 1-((1,3-dioxolan-2-yl)methyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 1-(1,3-dioxolan-2-ylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-[1,3]Dioxolan-2-ylmethyl-1H-pyrazole-4-boronic acid pinacol ester; 1-[1,3]Dioxolan-2-ylmethyl-1H-pyrazole-4-boronic acid,pinacol ester
IUPAC Name
1-(1,3-dioxolan-2-ylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3OCCO3
InChI
InChI=1S/C13H21BN2O4/c1-12(2)13(3,4)20-14(19-12)10-7-15-16(8-10)9-11-17-5-6-18-11/h7-8,11H,5-6,9H2,1-4H3
InChI Key
IWEGDQUCWQFKHS-UHFFFAOYSA-N
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
280.1594373 g/mol
Monoisotopic Mass
280.1594373 g/mol
Topological Polar Surface Area
54.7Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
344
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 |
|---|---|---|
| US-10081637-B2 | Pyrazole compounds as modulators of FSHR and uses thereof | 2013-06-24 |
| US-2016152626-A1 | Pyrazole compounds as modulators of fshr and uses thereof | 2013-06-24 |
| US-2018354965-A1 | Pyrazole compounds as modulators of fshr and uses thereof | 2013-06-24 |
| WO-2014209980-A1 | Pyrazole compounds as modulators of fshr and uses thereof | 2013-06-24 |
| AU-2012259333-A1 | Pyridine-and pyrazine derivatives | 2011-05-23 |
| AU-2012259333-A2 | Pyridine-and pyrazine derivatives | 2011-05-23 |
| AU-2012259333-B2 | Pyridine-and pyrazine derivatives | 2011-05-23 |
| DK-2714677-T3 | PYRIDINE AND PYRAZINE DERIVATIVES | 2011-05-23 |
| EA-023364-B1 | DERIVATIVES OF PYRIDINE AND PYRAZINE | 2011-05-23 |
| EP-2714677-A1 | Pyridine-and pyrazine derivatives | 2011-05-23 |
