| CAS Number | 152992-58-0 |
| Catalog Number | AG003QC7(AGN-PC-0033SF) |
| Chemical Name | Ethyl 5-Amino-4-Cyano-1-P-Tolylpyrazole-3-Carboxylate |
| IUPAC Name | ethyl 5-amino-4-cyano-1-(4-methylphenyl)pyrazole-3-carboxylate |
| InChI | InChI=1S/C14H14N4O2/c1-3-20-14(19)12-11(8-15)13(16)18(17-12)10-6-4-9(2)5-7-10/h4-7H,3,16H2,1-2H3 |
| InChI Key | OFGRJFITISXAMD-UHFFFAOYSA-N |
| MDL Number | MFCD09835731 |
| Molecular Formula | C14H14N4O2 |
| Molecular Weight | 270.2866 |
| SMILES | CCOC(=O)c1nn(c(c1C#N)N)c1ccc(cc1)C |
| Synonyms | 152992-58-0,
Ethyl 5-amino-4-cyano-1-(p-tolyl)-1H-pyrazole-3-carboxylate,
Ethyl 5-amino-4-cyano-1-p-tolylpyrazole-3-carboxylate,
ACMC-209d8i,
CTK8B0849,
DTXSID60566036,
ANW-21424,
MFCD09835731,
ZINC38537331,
AKOS015854717,
RTR-006312,
AJ-96076,
AX8230607,
TR-006312,
ST24024987,
V3483,
B-2479,
I05-728,
Ethyl 5-amino-4-cyano-1-(4-methylphenyl)-1H-pyrazole-3-carboxylate,
OFGRJFITISXAMD-UHFFFAOYSA-N,
C14H14N4O2,
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| Complexity | 397 |
| 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
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Certificate of Analysis
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