Home Carboxys (Pyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 2-ethyl5-[(4-nitrophenyl)Methyl] ester )

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

CAS No.:
623565-14-0
Catalog Number:
AG00ELVC
Molecular Formula:
C17H18N4O6
Molecular Weight:
374.3480
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Product Description
Catalog Number:
AG00ELVC
Chemical Name:
(Pyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 2-ethyl5-[(4-nitrophenyl)Methyl] ester )
CAS Number:
623565-14-0
Molecular Formula:
C17H18N4O6
Molecular Weight:
374.3480
MDL Number:
MFCD27924230
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
SMILES:
CCOC(=O)c1nn2c(c1)CN(CC2)C(=O)OCc1ccc(cc1)[N+](=O)[O-]
Properties
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  
Properties