1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester - CAS 1022092-33-6

Name: 1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB000807
Product Name:	1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
CAS:	1022092-33-6
Synonyms:	3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyrazolyl]propanenitrile; 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile

Technical Data

IUPAC Name:	3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile
Description:	1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester (CAS# 1022092-33-6) is a useful reactant for the preparation of bicyclic BET bromodomain inhibitors.
Molecular Weight:	247.10
Molecular Formula:	C12H18N3O2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCC#N
InChI:	InChI=1S/C12H18BN3O2/c1-11(2)12(3,4)18-13(17-11)10-8-15-16(9-10)7-5-6-14/h8-9H,5,7H2,1-4H3
InChI Key:	LUKJAULGXVGMSP-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD16660233
LogP:	1.09598

Publication Number	Title	Priority Date
US-2021171535-A1	Tricyclic heterocycles as fgfr inhibitors	20191204
WO-2021113479-A1	Tricyclic heterocycles as fgfr inhibitors	20191204
US-2021171529-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125
WO-2021108404-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125
US-2021106588-A1	Bicyclic heterocycles as fgfr inhibitors	20191014

Complexity:	348
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.149207
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	247.149207
Rotatable Bond Count:	3
Topological Polar Surface Area:	60.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0