AG00ELVC

623565-14-0 | (Pyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 2-ethyl5-[(4-nitrophenyl)Methyl] ester )

AG00ELVC

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CAS Number	623565-14-0
Catalog Number	AG00ELVC(AGN-PC-0T40R0)
Chemical Name	(Pyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 2-ethyl5-[(4-nitrophenyl)Methyl] ester )
IUPAC Name	2-O-ethyl 5-O-[(4-nitrophenyl)methyl] 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxylate
InChI	InChI=1S/C17H18N4O6/c1-2-26-16(22)15-9-14-10-19(7-8-20(14)18-15)17(23)27-11-12-3-5-13(6-4-12)21(24)25/h3-6,9H,2,7-8,10-11H2,1H3
InChI Key	IIRGEIKLCGECFA-UHFFFAOYSA-N
MDL Number	MFCD27924230
Molecular Formula	C17H18N4O6
Molecular Weight	374.3480
SMILES	C(=O)(OCC)c1cc2n(n1)CCN(C2)C(=O)OCc1ccc(cc1)N(=O)=O
Synonyms	623565-14-0, 2-Ethyl 5-(4-nitrobenzyl) 6,7-dihydropyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxylate, 2-ethyl 5-(4-nitrophenyl)methyl 4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxylate, (Pyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 2-ethyl5-[(4-nitrophenyl)methyl] ester ), SCHEMBL3554448, KS-00002BBR, IIRGEIKLCGECFA-UHFFFAOYSA-N, MFCD27924230, ZINC36472938, AKOS025393565, SS-4702, OR310410, 6,7-Dihydro-(pyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxylic acid) 2-ethyl ester 5-[(4-nitrophenyl)methyl] ester, 6,7-Dihydro-4H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxylic acid 2-ethyl ester 5-(4-nitrobenzyl) ester, 6,7-Dihydro-4H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxylic acid 2-ethyl ester 5-(4-nitrobenzyl)ester, CID11845245, (4-nitrophenyl)methyl Ethyl 1,4,9-triazabicyclo[4.3.0]nona-6,8-diene-4,8-dicarboxylate,

Complexity	560
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	374.123g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	374.353g/mol
Monoisotopic Mass	374.123g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	120A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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