1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester - CAS 1022092-33-6
Catalog: |
BB000807 |
Product Name: |
1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester |
CAS: |
1022092-33-6 |
Synonyms: |
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyrazolyl]propanenitrile; 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile |
IUPAC Name: | 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile |
Description: | 1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester (CAS# 1022092-33-6) is a useful reactant for the preparation of bicyclic BET bromodomain inhibitors. |
Molecular Weight: | 247.10 |
Molecular Formula: | C12H18N3O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCC#N |
InChI: | InChI=1S/C12H18BN3O2/c1-11(2)12(3,4)18-13(17-11)10-8-15-16(9-10)7-5-6-14/h8-9H,5,7H2,1-4H3 |
InChI Key: | LUKJAULGXVGMSP-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 ℃ |
MDL: | MFCD16660233 |
LogP: | 1.09598 |
Publication Number | Title | Priority Date |
US-2021171535-A1 | Tricyclic heterocycles as fgfr inhibitors | 20191204 |
WO-2021113479-A1 | Tricyclic heterocycles as fgfr inhibitors | 20191204 |
US-2021171529-A1 | Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use | 20191125 |
WO-2021108404-A1 | Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use | 20191125 |
US-2021106588-A1 | Bicyclic heterocycles as fgfr inhibitors | 20191014 |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.149207 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.149207 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 60.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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