4-Bromo-1-methyl-1H-pyrazole-5-boronic Acid Pinacol Ester - CAS 942070-88-4
Catalog: |
BB041227 |
Product Name: |
4-Bromo-1-methyl-1H-pyrazole-5-boronic Acid Pinacol Ester |
CAS: |
942070-88-4 |
Synonyms: |
4-bromo-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 4-bromo-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
IUPAC Name: | 4-bromo-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
Description: | 4-Bromo-1-methyl-1H-pyrazole-5-boronic Acid Pinacol Ester (CAS# 942070-88-4) is derived from 1-Methyl-1H-pyrazole-5-boronic Acid Pinacol Ester (M330343), which is a useful research chemical. |
Molecular Weight: | 286.96 |
Molecular Formula: | C10H16BrN2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=NN2C)Br |
InChI: | InChI=1S/C10H16BBrN2O2/c1-9(2)10(3,4)16-11(15-9)8-7(12)6-13-14(8)5/h6H,1-5H3 |
InChI Key: | WSTPLIAWLPGTLO-UHFFFAOYSA-N |
Boiling Point: | 358.566 °C at 760 mmHg |
Density: | 1.373 g/cm3 |
MDL: | MFCD12405502 |
LogP: | 1.48180 |
Publication Number | Title | Priority Date |
US-2021078994-A1 | MTA-Cooperative PRMT5 Inhibitors | 20190912 |
US-2021079003-A1 | MTA-Cooperative PRMT5 Inhibitors | 20190912 |
WO-2021050915-A1 | Mta-cooperative prmt5 inhibitors | 20190912 |
US-2008091027-A1 | Process for producing oxazole, imidazole, pyrrazole boryl compounds | 20060911 |
US-7709654-B2 | Process for producing oxazole, imidazole, pyrrazole boryl compounds | 20060911 |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.04882 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.04882 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 36.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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