AG003UJK

1073354-70-7 | 1-Boc-3,5-dimethylpyrazole-4-boronic acid pinacol ester

AG003UJK

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CAS Number	1073354-70-7
Catalog Number	AG003UJK(AGN-PC-00UR18)
Chemical Name	1-Boc-3,5-dimethylpyrazole-4-boronic acid pinacol ester
IUPAC Name	tert-butyl 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate
InChI	InChI=1S/C16H27BN2O4/c1-10-12(17-22-15(6,7)16(8,9)23-17)11(2)19(18-10)13(20)21-14(3,4)5/h1-9H3
InChI Key	GNLNGVZPEKSDAR-UHFFFAOYSA-N
MDL Number	MFCD09027070
Molecular Formula	C16H27BN2O4
Molecular Weight	322.2076
SMILES	CC1=NN(C(=O)OC(C)(C)C)C(C)=C1B1OC(C)(C)C(C)(C)O1
Synonyms	1073354-70-7, tert-Butyl 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxylate, 1-Boc-3,5-dimethylpyrazole-4-boronic acid pinacol ester, tert-butyl 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate, 1-(tert-Butoxycarbonyl)-3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, SCHEMBL111352, CTK8B3216, DTXSID50584921, GNLNGVZPEKSDAR-UHFFFAOYSA-N, BM629, ZXBA000481, ZX-AT019637, ANW-41984, MFCD09027070, AKOS015893169, ZINC169743786, ACN-055503, FCH1626406, FS-5816, OR16624, RP06955, RTR-001750, SB12220, 1-TERT-BUTOXYCARBONYL-3,5-DIMETHYLPYRAZOLE-4-BORONIC ACID, PINACOL ESTER, AK110061, BC000058, AX8227835, DB-059623, TR-001750, CS-0036251, FT-0703357, Y6967, K-0574, I04-2391, J-001848, J-524513, 1-Boc-3,5-dimethylpyrazole-4-boronic acid pinacol ester, 97%, 1-tert-Butoxycarbonyl-3,5-dimethylpyrazole-4-boronic acid pinacol ester, (1-(TERT-BUTOXYCARBONYL)-3,5-DIMETHYL-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER, tert-butyl 3,5-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxylate, tert-butyl 3,5-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate, 3,5-dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazole-1-carboxylic acid tert-butyl ester, C16H27BN2O4, 3,5-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester, N1-BOC protected,

Complexity	459
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	322.206g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	322.212g/mol
Monoisotopic Mass	322.206g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

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