1-Cyclobutyl-1H-pyrazole-4-boronic Acid Pinacol Ester - CAS 1002309-48-9
Catalog: |
BB000134 |
Product Name: |
1-Cyclobutyl-1H-pyrazole-4-boronic Acid Pinacol Ester |
CAS: |
1002309-48-9 |
Synonyms: |
1-cyclobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-cyclobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
IUPAC Name: | 1-cyclobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
Description: | 1-Cyclobutyl-1H-pyrazole-4-boronic Acid Pinacol Ester (CAS# 1002309-48-9) is a useful research chemical. |
Molecular Weight: | 248.13 |
Molecular Formula: | C13H21N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCC3 |
InChI: | InChI=1S/C13H21BN2O2/c1-12(2)13(3,4)18-14(17-12)10-8-15-16(9-10)11-6-5-7-11/h8-9,11H,5-7H2,1-4H3 |
InChI Key: | OBCTWWFLJFCNPC-UHFFFAOYSA-N |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD16659010 |
LogP: | 1.90730 |
Publication Number | Title | Priority Date |
US-2021214366-A1 | Bicyclic heterocycles as fgfr inhibitors | 20200115 |
US-2021115053-A1 | Bicyclic heterocycles as fgfr inhibitors | 20191016 |
WO-2021076728-A1 | Bicyclic heterocycles as fgfr inhibitors | 20191016 |
US-2021094935-A1 | Bicyclic heterocycles as fgfr inhibitors | 20191001 |
WO-2021067374-A1 | Bicyclic heterocycles as fgfr inhibitors | 20191001 |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.1696081 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.1696081 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 36.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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