AG00HXPB

1492954-33-2 | 4-Methyl-1-(tetrahydro-2h-pyran-2-yl)-1h-pyrazole-5-boronic acid pinacol ester

AG00HXPB

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CAS Number	1492954-33-2
Catalog Number	AG00HXPB(AGN-PC-0WD8UE)
Chemical Name	4-Methyl-1-(tetrahydro-2h-pyran-2-yl)-1h-pyrazole-5-boronic acid pinacol ester
IUPAC Name	4-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI	InChI=1S/C15H25BN2O3/c1-11-10-17-18(12-8-6-7-9-19-12)13(11)16-20-14(2,3)15(4,5)21-16/h10,12H,6-9H2,1-5H3
InChI Key	JUCGITVYAKQXHE-UHFFFAOYSA-N
MDL Number	MFCD09837627
Molecular Formula	C15H25BN2O3
Molecular Weight	292.1816
SMILES	CC1(C)C(C)(C)OB(C2=C(C)C=NN2C3CCCCO3)O1
Synonyms	1492954-33-2, 4-METHYL-1-(TETRAHYDRO-2H-PYRAN-2-YL)-1H-PYRAZOLE-5-BORONIC ACID PINACOL ESTER, 4-methyl-1-(oxan-2-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 4-methyl-1-(tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, SCHEMBL15388527, JUCGITVYAKQXHE-UHFFFAOYSA-N, AKOS005259357, SB11402, AS-50646, CS-0050812, FT-0731185,

Complexity	375
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	292.196g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	292.186g/mol
Monoisotopic Mass	292.196g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	45.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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