| CAS Number | 321571-07-7 |
| Catalog Number | AG00C9RI(AGN-PC-0WBNKS) |
| Chemical Name | Ethyl 3-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)-1H-pyrazole-4-carboxylate |
| IUPAC Name | ethyl 5-[(2-cyano-3-ethoxy-3-oxoprop-1-enyl)amino]-1H-pyrazole-4-carboxylate |
| InChI | InChI=1S/C12H14N4O4/c1-3-19-11(17)8(5-13)6-14-10-9(7-15-16-10)12(18)20-4-2/h6-7H,3-4H2,1-2H3,(H2,14,15,16) |
| InChI Key | GMGGKDVJSPDXNB-UHFFFAOYSA-N |
| MDL Number | MFCD21363441 |
| Molecular Formula | C12H14N4O4 |
| Molecular Weight | 278.2640 |
| SMILES | C(#N)C(=CNC1=NNC=C1C(=O)OCC)C(=O)OCC |
| Synonyms | ethyl 5-[(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino]-1H-pyrazole-4-carboxylate,
321571-07-7,
ethyl 5-[(2-cyano-3-ethoxy-3-oxoprop-1-enyl)amino]-1H-pyrazole-4-carboxylate,
AC1MXY06,
KS-00001VHE,
Ethyl 5-((2-cyano-3-ethoxy-3-oxo-1-propenyl)amino)-1H-pyrazole-4-carboxylate,
(E/Z)-3-[(2-Cyano-3-ethoxy-3-oxo-1-propenyl)amino]-1H-Pyrazole-4-carboxylic Acid Ethyl Ester,
AKOS016340001,
MCULE-9111298755,
FT-0665282,
(Z)-ethyl 5-(2-cyano-3-ethoxy-3-oxoprop-1-enylamino)-1H-pyrazole-4-carboxylate,
Ethyl (E/Z)-3-(2-Carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate,
ethyl 3-[(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino]-1h-pyrazole-4-carboxylate,
GMGGKDVJSPDXNB-UHFFFAOYSA-N,
ZINC00159809,
CID3797861,
52632-17-4,
ethyl (4-ethoxycarbonyl-5-pyrazolyl)aminomethylenecyanoacetate,
|
| Complexity | 440 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.268g/mol |
| Monoisotopic Mass | 278.102g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number