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20481-33-8 | Propanedioic acid, 2-[[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylene]-, 1,3-diethyl ester
CAS No: 20481-33-8 Catalog No: AG0029PE MDL No:MFCD00067953
Product Description
Catalog Number:
AG0029PE
Chemical Name:
Propanedioic acid, 2-[[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylene]-, 1,3-diethyl ester
CAS Number:
20481-33-8
Molecular Formula:
C13H19N3O4
Molecular Weight:
281.3077
MDL Number:
MFCD00067953
IUPAC Name:
diethyl 2-[[(2,5-dimethylpyrazol-3-yl)amino]methylidene]propanedioate
InChI:
InChI=1S/C13H19N3O4/c1-5-19-12(17)10(13(18)20-6-2)8-14-11-7-9(3)15-16(11)4/h7-8,14H,5-6H2,1-4H3
InChI Key:
PFQPORNTOSYJRQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CNc1cc(nn1C)C)C(=O)OCC
Properties
Complexity:
364
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:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.312g/mol
Monoisotopic Mass:
281.138g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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