1-[2-(Dimethylamino)-2-oxoethyl]-1H-pyrazole-4-boronic Acid Pinacol Ester - CAS 930596-20-6

Name: 1-[2-(Dimethylamino)-2-oxoethyl]-1H-pyrazole-4-boronic Acid Pinacol Ester
Brand: BOC Sciences
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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

Technical Data

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

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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