AG000XPC

1280210-79-8 | Pyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid, 2,6-dihydro-, 1,1-dimethylethyl ester

AG000XPC

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CAS Number	1280210-79-8
Catalog Number	AG000XPC(AGN-PC-0WAF8W)
Chemical Name	Pyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid, 2,6-dihydro-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylate
InChI	InChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)13-5-7-4-11-12-8(7)6-13/h4H,5-6H2,1-3H3,(H,11,12)
InChI Key	IBUNCTVDGYIKAP-UHFFFAOYSA-N
MDL Number	MFCD22565651
Molecular Formula	C10H15N3O2
Molecular Weight	209.2450
SMILES	O=C(N1CC2=NNC=C2C1)OC(C)(C)C
Synonyms	657428-42-7, 1280210-79-8, tert-Butyl 4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate, tert-Butyl 4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate, 4,6-Dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester, 5-BOC-4,6-DIHYDRO-1H-PYRROLO[3,4-C]PYRAZOLE, Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 4,6-dihydro-, 1,1-dimethylethyl ester, tert-butyl 1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate, 5-Tert-butoxycarbonyl-1,4,5,6-tetrahydropyrrolo-[3,4-c]-pyrazole, AK100520, tert-Butyl 2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate, tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylate, 2,6-Dihydro-4H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester, Pyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid, 2,6-dihydro-, 1,1-dimethylethyl ester, AC1OGDCR, N-Boc-pyrazolopyrrolidine, SCHEMBL2344939, CTK7G2659, CTK8C3491, KS-00000QUK, IBUNCTVDGYIKAP-UHFFFAOYSA-N, BCP27033, CS-B0998, CS-M3050, KS-000003PT, ZINC4243146, 5392AA, ANW-51293, ANW-70164, BBL102341, MFCD08061257, MFCD22565651, STL556141, AKOS015838353, AKOS016002665, CB-3293, DS-0269, PB34263, RP26504, TRA0041781, WT82011, AC-29056, AJ-49550, AJ-49551, AK-23721, BBV-46400177, BC655385, BR-23721, CJ-11661, DA-12987, SC-94900, SY023344, AB0026101, AX8241464, ST2419948, TC-158909, TL8004662, TR-022328, 4CH-007677, 4CH-016113, FT-0083599, FT-0649018, FT-0697517, ST24031777, W7697, A15737, S-6496, Z-8887, MFCD08061257 (95+%), A1-00357, I11-0456, I14-4621, J-514158, I14-12578, tert-butyl 4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H), 5-N-Boc-1,4,5,6-tetrahydropropyrrolo-[3,4-c]pyrazole, tert-butyl 1H,4H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate, t-butyl 4,6-dihydropyrrolo [3,4-c]pyrazole-5(1h)-carboxylate, tert-butyl 2H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate, tert-butyl pyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate, tert-butyl pyrrolo[3,4-c]pyrazole-5(2H,4H,6H)-carboxylate, tert-butyl 4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate, tert-Butyl 4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H);-carboxylate, 2,6-Dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid 1,1-dimethylethyl ester, Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylicacid, 4,6-dihydro-, 1,1-dimethylethyl ester, Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylicacid,4,6-dihydro-,1,1-dimethylethyl ester, C10H15N3O2, ZINC04243146, ACN-037448, CID7147072, tert-Butyl4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate, Pyrrolo[3,4-c]pyrazole-5 -carboxylicacid,4,6-dihydro-,1,1-dimethylethylester,

Complexity	262
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.116g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	209.249g/mol
Monoisotopic Mass	209.116g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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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