| CAS Number | 1150164-68-3 |
| Catalog Number | AG000FON(AGN-PC-0WAD73) |
| Chemical Name | Ethyl 5-amino-4-cyano-1-o-tolylpyrazole-3-carboxylate |
| IUPAC Name | ethyl 5-amino-4-cyano-1-(2-methylphenyl)pyrazole-3-carboxylate |
| InChI | InChI=1S/C14H14N4O2/c1-3-20-14(19)12-10(8-15)13(16)18(17-12)11-7-5-4-6-9(11)2/h4-7H,3,16H2,1-2H3 |
| InChI Key | QYZLEWCLVKYXEC-UHFFFAOYSA-N |
| MDL Number | MFCD09835733 |
| Molecular Formula | C14H14N4O2 |
| Molecular Weight | 270.2866 |
| SMILES | CCOC(=O)c1nn(c(c1C#N)N)c1ccccc1C |
| Synonyms | Ethyl 5-amino-4-cyano-1-o-tolylpyrazole-3-carboxylate,
1150164-68-3,
CTK8A9286,
DTXSID00675070,
ANW-16810,
MFCD09835733,
ZINC38537556,
AKOS015854796,
RTR-002809,
TR-002809,
Z7587,
K-1078,
Ethyl 5-amino-4-cyano-1-(2-methylphenyl)-1H-pyrazole-3-carboxylate,
1H-Pyrazole-3-carboxylic acid, 5-amino-4-cyano-1-(2-methylphenyl)-, ethyl ester,
C14H14N4O2,
|
| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.292g/mol |
| Monoisotopic Mass | 270.112g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number