1-[2-(Dimethylamino)-2-oxoethyl]-1H-pyrazole-4-boronic Acid Pinacol Ester - CAS 930596-20-6
Catalog: |
BB040758 |
Product Name: |
1-[2-(Dimethylamino)-2-oxoethyl]-1H-pyrazole-4-boronic Acid Pinacol Ester |
CAS: |
930596-20-6 |
Synonyms: |
N,N-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyrazolyl]acetamide; N,N-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide |
IUPAC Name: | N,N-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide |
Description: | 1-[2-(Dimethylamino)-2-oxoethyl]-1H-pyrazole-4-boronic Acid Pinacol Ester (CAS# 930596-20-6) is a useful research chemical. |
Molecular Weight: | 279.14 |
Molecular Formula: | C13H22N3O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC(=O)N(C)C |
InChI: | InChI=1S/C13H22BN3O3/c1-12(2)13(3,4)20-14(19-12)10-7-15-17(8-10)9-11(18)16(5)6/h7-8H,9H2,1-6H3 |
InChI Key: | RVZZYZZVSAPLOO-UHFFFAOYSA-N |
LogP: | 0.27050 |
Publication Number | Title | Priority Date |
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Complexity: | 371 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.1754217 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 279.1754217 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 56.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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