1-(1-Boc-3-pyrrolidinyl)-1H-pyrazole-4-boronic Acid Pinacol Ester - CAS 1359974-18-7

Name: 1-(1-Boc-3-pyrrolidinyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
Brand: BOC Sciences
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Catalog:	BB008264
Product Name:	1-(1-Boc-3-pyrrolidinyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
CAS:	1359974-18-7
Synonyms:	3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyrazolyl]-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyrrolidine-1-carboxylate

Technical Data

IUPAC Name:	tert-butyl 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyrrolidine-1-carboxylate
Description:	1-(1-Boc-3-pyrrolidinyl)-1H-pyrazole-4-boronic Acid Pinacol Ester (CAS# 1359974-18-7) is a useful research chemical.
Molecular Weight:	363.26
Molecular Formula:	C18H30N3O4B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCN(C3)C(=O)OC(C)(C)C
InChI:	InChI=1S/C18H30BN3O4/c1-16(2,3)24-15(23)21-9-8-14(12-21)22-11-13(10-20-22)19-25-17(4,5)18(6,7)26-19/h10-11,14H,8-9,12H2,1-7H3
InChI Key:	IGWFVUAHNXWIFY-UHFFFAOYSA-N
LogP:	2.30210

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Complexity:	533
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	363.2329366
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	363.2329366
Rotatable Bond Count:	4
Topological Polar Surface Area:	65.8
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0