AG00FFCA

733757-89-6 | tert-Butyl 3-(trifluoromethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate

AG00FFCA

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CAS Number	733757-89-6
Catalog Number	AG00FFCA(AGN-PC-0U2ZO7)
Chemical Name	tert-Butyl 3-(trifluoromethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate
IUPAC Name	tert-butyl 3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate
InChI	InChI=1S/C12H16F3N3O2/c1-11(2,3)20-10(19)18-5-4-7-8(6-18)16-17-9(7)12(13,14)15/h4-6H2,1-3H3,(H,16,17)
InChI Key	XMKZXGSZQPUXKJ-UHFFFAOYSA-N
MDL Number	MFCD11044974
Molecular Formula	C12H16F3N3O2
Molecular Weight	291.2695
SMILES	O=C(N1CCC2=C(NN=C2C(F)(F)F)C1)OC(C)(C)C
Synonyms	733757-89-6, tert-Butyl 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate, tert-Butyl 3-(trifluoromethyl)-4,5-dihydro-2H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate, AK-31283, 6-N-Boc-3-trifluoromethyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine, XMKZXGSZQPUXKJ-UHFFFAOYSA-N, SCHEMBL1424003, CTK8B7452, DTXSID30679182, KS-00000Q4Z, 1402AC, ANW-57340, MFCD11044974, ZINC82046515, AKOS016001543, PC48634, DS-11853, AJ-124210, AX8232371, TC-146085, 4CH-011870, ST24025885, 6-tert-butoxycarbonyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine, tert-Butyl 3-(trifluoromethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate, tert-butyl 3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate, 3-TRIFLUOROMETHYL-1,4,5,7-TETRAHYDRO-PYRAZOLO[3,4-C]PYRIDINE-6-CARBOXYLIC ACID TERT-BUTYL ESTER, C12H16F3N3O2, N/A, TERT-BUTYL3- -1,4,5,7-TETRAHYDRO-6H-PYRAZOLO[3,4-C]PYRIDINE-6-CARBOXYLATE, tert-Butyl3-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate, tert-butyl 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate, 95% - 1G 1g,

Complexity	381
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	291.119g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	291.274g/mol
Monoisotopic Mass	291.119g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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