1-[(Methylsulfonyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole - CAS 1282530-99-7

Catalog:	BB059493
Product Name:	1-[(Methylsulfonyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS:	1282530-99-7
Synonyms:	1-(methanesulfonylmethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; (1-((Methylsulfonyl)methyl)-1H-pyrazol-4-yl)boronic acid pinacol ester; 1-[(Methylsulfonyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 1-(methylsulfonylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-Methanesulfonylmethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole; 1-((Methylsulfonyl)methyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 1H-Pyrazole, 1-[(methylsulfonyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

Technical Data

IUPAC Name:	1-(methylsulfonylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Description:	1-[(Methylsulfonyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is used in the preparation of benzoxepin derivatives as P13K inhibitors in the treatment of cancer.
Molecular Weight:	286.16
Molecular Formula:	C11H19BN2O4S
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CS(=O)(=O)C
InChI:	InChI=1S/C11H19BN2O4S/c1-10(2)11(3,4)18-12(17-10)9-6-13-14(7-9)8-19(5,15)16/h6-7H,8H2,1-5H3
InChI Key:	HHCTVKKVTRICQK-UHFFFAOYSA-N

Complexity:	430
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	286.1158584
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	286.1158584
Rotatable Bond Count:	3
Topological Polar Surface Area:	78.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0