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1026853-23-5,MFCD12198788
Catalog No.:AA00080Z
1026853-23-5 | 5-tert-Butyl 3-ethyl 4,6-dihydropyrrolo[3,4-c]pyrazole-3,5(1h)-dicarboxylate
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Technical Information
Catalog Number:
AA00080Z
Chemical Name:
5-tert-Butyl 3-ethyl 4,6-dihydropyrrolo[3,4-c]pyrazole-3,5(1h)-dicarboxylate
CAS Number:
1026853-23-5
Molecular Formula:
C13H19N3O4
Molecular Weight:
281.3077
MDL Number:
MFCD12198788
IUPAC Name:
5-O-tert-butyl 3-O-ethyl 4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-3,5-dicarboxylate
InChI:
InChI=1S/C13H19N3O4/c1-5-19-11(17)10-8-6-16(7-9(8)14-15-10)12(18)20-13(2,3)4/h5-7H2,1-4H3,(H,14,15)
InChI Key:
MHWYLDOKAIBUKI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c2c1CN(C2)C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
394  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.138g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
281.312g/mol
Monoisotopic Mass:
281.138g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
1026853-23-5 
5-tert-Butyl 3-ethyl 4,6-dihydropyrrolo[3,4-c]pyrazole-3,5(1H)-dicarboxylate 
PB28409 
AJ-96838 
AM802852 
AX8245288 
CS-0036183 
I14-12728 
5-t-Butyl 3-ethyl 4,6-dihydropyrrolo[3,4-c]pyrazole-3,5(1H)-dicarboxylate 
5-tert-butyl 3-ethyl 1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3,5-dicarboxylate 
5-TERT-BUTYL 3-ETHYL PYRROLO[3,4-C]PYRAZOLE-3,5(1H,4H,6H)-DICARBOXYLATE 
Pyrrolo[3,4-c]pyrazole-3,5(1H)-dicarboxylic acid, 4,6-dihydro-, 5-(1,1-dimethylethyl) 3-ethyl ester 
Ethyl 5-Boc-4,6-dihydropyrrolo-[3,4-c]pyrazole-3-carboxylate 
C13H19N3O4 
CID10378985 
Tert-butyl Ethyl 3,4,7-triazabicyclo[3.3.0]octa-2,9-diene-2,7-dicarboxylate 
DTXSID40439012 
KS-00001C8C 
0653AA 
MFCD12198788 
ZINC38682171 
5-Tert-Butyl3-Ethyl4,6-Dihydropyrrolo[3,4-C]Pyrazole-3,5(1H)-Dicarboxylate 
AKOS015899462 
Literature
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