1-Phenylpyrazole-4-boronic Acid Pinacol Ester - CAS 1002334-12-4
Catalog: |
BB000136 |
Product Name: |
1-Phenylpyrazole-4-boronic Acid Pinacol Ester |
CAS: |
1002334-12-4 |
Synonyms: |
1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
IUPAC Name: | 1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
Description: | 1-Phenylpyrazole-4-boronic Acid Pinacol Ester (CAS# 1002334-12-4) is a useful research chemical. |
Molecular Weight: | 270.13 |
Molecular Formula: | C15H19N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3=CC=CC=C3 |
InChI: | InChI=1S/C15H19BN2O2/c1-14(2)15(3,4)20-16(19-14)12-10-17-18(11-12)13-8-6-5-7-9-13/h5-11H,1-4H3 |
InChI Key: | XPAJFLOIPDXRRD-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
MDL: | MFCD12400941 |
LogP: | 2.17150 |
Publication Number | Title | Priority Date |
US-2021171529-A1 | Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use | 20191125 |
US-2020308163-A1 | Compounds and compositions as modulators of tlr signaling | 20190326 |
WO-2016000615-A1 | Heteroaryl compounds and pharmaceutical applications thereof | 20140702 |
AU-2014352463-A1 | Ketone derivatives of imidazoles, pharmaceutical combinations and uses thereof | 20131120 |
AU-2014352463-B2 | Ketone derivatives of imidazoles, pharmaceutical combinations and uses thereof | 20131120 |
Complexity: | 340 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.153958 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.153958 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 36.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Boronic Acids and Esters
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