3-(1-Methyl-4-pyrazolyl)phenylboronic Acid Pinacol Ester - CAS 1534350-44-1
Catalog: |
BB010896 |
Product Name: |
3-(1-Methyl-4-pyrazolyl)phenylboronic Acid Pinacol Ester |
CAS: |
1534350-44-1 |
Synonyms: |
1-methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole; 1-methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole |
IUPAC Name: | 1-methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole |
Description: | 3-(1-Methyl-4-pyrazolyl)phenylboronic Acid Pinacol Ester (CAS# 1534350-44-1 ) is a useful research chemical. |
Molecular Weight: | 284.16 |
Molecular Formula: | C16H21N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3=CN(N=C3)C |
InChI: | InChI=1S/C16H21BN2O2/c1-15(2)16(3,4)21-17(20-15)14-8-6-7-12(9-14)13-10-18-19(5)11-13/h6-11H,1-5H3 |
InChI Key: | NFQHYUUFABBBAI-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
EP-3221306-A1 | Heteroaryl compounds as irak inhibitors and uses thereof | 20141120 |
EP-3221306-B1 | Heteroaryl compounds as irak inhibitors and uses thereof | 20141120 |
JP-2017536369-A | Heteroaryl compounds and their use as IRAK inhibitors | 20141120 |
KR-20170086057-A | Heteroaryl compounds as irak inhibitors and uses thereof | 20141120 |
US-10030013-B2 | Heteroaryl compounds as IRAK inhibitors and uses thereof | 20141120 |
Complexity: | 373 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.1696081 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.1696081 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 36.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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