1-(3-Oxetanyl)-1H-pyrazole-4-boronic Acid Pinacol Ester - CAS 1339890-99-1
Catalog: |
BB007848 |
Product Name: |
1-(3-Oxetanyl)-1H-pyrazole-4-boronic Acid Pinacol Ester |
CAS: |
1339890-99-1 |
Synonyms: |
1-(3-oxetanyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-(oxetan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
IUPAC Name: | 1-(oxetan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
Description: | 1-(3-Oxetanyl)-1H-pyrazole-4-boronic Acid Pinacol Ester (CAS# 1339890-99-1 ) is a useful research chemical. |
Molecular Weight: | 250.10 |
Molecular Formula: | C12H19N2O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3COC3 |
InChI: | InChI=1S/C12H19BN2O3/c1-11(2)12(3,4)18-13(17-11)9-5-14-15(6-9)10-7-16-8-10/h5-6,10H,7-8H2,1-4H3 |
InChI Key: | KIYMAKQVFHPNGB-UHFFFAOYSA-N |
MDL: | MFCD21337762 |
LogP: | 0.75360 |
Publication Number | Title | Priority Date |
US-2021214366-A1 | Bicyclic heterocycles as fgfr inhibitors | 20200115 |
WO-2021129621-A1 | Pyrazole compounds | 20191223 |
US-2021171535-A1 | Tricyclic heterocycles as fgfr inhibitors | 20191204 |
WO-2021113479-A1 | Tricyclic heterocycles as fgfr inhibitors | 20191204 |
WO-2021068755-A1 | Compound having brd4 inhibitory activity, preparation method therefor and use thereof | 20191008 |
Complexity: | 317 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.1488726 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.1488726 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 45.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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