| CAS Number | 96734-87-1 |
| Catalog Number | AG003QC1(AGN-PC-00MJAJ) |
| Chemical Name | Ethyl 5-amino-1-(3-chlorophenyl)-4-cyanopyrazole-3-carboxylate |
| IUPAC Name | ethyl 5-amino-1-(3-chlorophenyl)-4-cyanopyrazole-3-carboxylate |
| InChI | InChI=1S/C13H11ClN4O2/c1-2-20-13(19)11-10(7-15)12(16)18(17-11)9-5-3-4-8(14)6-9/h3-6H,2,16H2,1H3 |
| InChI Key | QZWOLRNHCXXTGS-UHFFFAOYSA-N |
| MDL Number | MFCD09835738 |
| Molecular Formula | C13H11ClN4O2 |
| Molecular Weight | 290.7050 |
| SMILES | CCOC(=O)c1nn(c(c1C#N)N)c1cccc(c1)Cl |
| Synonyms | 96734-87-1,
Ethyl 5-amino-1-(3-chlorophenyl)-4-cyano-1H-pyrazole-3-carboxylate,
ETHYL 5-AMINO-1-(3-CHLOROPHENYL)-4-CYANOPYRAZOLE-3-CARBOXYLATE,
ACMC-209s7m,
CTK5H8915,
DTXSID60540477,
ANW-40832,
MFCD09835738,
ZINC38537297,
AKOS015854688,
AJ-96049,
CJ-19420,
AX8230602,
TR-030176,
ST24024979,
V9879,
B-1258,
I05-725,
C13H11ClN4O2,
Ethyl5-amino-1-(3-chlorophenyl)-4-cyano-1H-pyrazole-3-carboxylate,
|
| Complexity | 410 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.707g/mol |
| Monoisotopic Mass | 290.057g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number