1-[2-(1-Piperidyl)ethyl]-1H-pyrazole-4-boronic Acid Pinacol Ester - CAS 1000802-51-6
Catalog: |
BB000062 |
Product Name: |
1-[2-(1-Piperidyl)ethyl]-1H-pyrazole-4-boronic Acid Pinacol Ester |
CAS: |
1000802-51-6 |
Synonyms: |
1-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyrazolyl]ethyl]piperidine; 1-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]piperidine |
IUPAC Name: | 1-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]piperidine |
Description: | 1-[2-(1-Piperidyl)ethyl]-1H-pyrazole-4-boronic Acid Pinacol Ester (CAS# 1000802-51-6 ) is a useful research chemical. |
Molecular Weight: | 305.22 |
Molecular Formula: | C16H28N3O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCN3CCCCC3 |
InChI: | InChI=1S/C16H28BN3O2/c1-15(2)16(3,4)22-17(21-15)14-12-18-20(13-14)11-10-19-8-6-5-7-9-19/h12-13H,5-11H2,1-4H3 |
InChI Key: | CUDGRVPQYNPZOL-UHFFFAOYSA-N |
LogP: | 1.60610 |
Publication Number | Title | Priority Date |
EP-2303882-A2 | Azacarboline derivatives, preparation method thereof and therapeutic use of same | 20080612 |
WO-2009150381-A2 | Azacarboline derivatives, preparation method thereof and therapeutic use of same | 20080612 |
AU-2007309237-A1 | Triazolo-pyridazine protein kinase modulators | 20061023 |
AU-2007309237-B2 | Triazolo-pyridazine protein kinase modulators | 20061023 |
CA-2667453-A1 | Triazolo-pyridazine protein kinase modulators | 20061023 |
Complexity: | 370 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.2274573 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.2274573 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 39.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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