| CAS Number | 1150164-14-9 |
| Catalog Number | AG000FNW(AGN-PC-0WNOFP) |
| Chemical Name | Ethyl 5-amino-4-cyano-1-(3-methoxyphenyl)pyrazole-3-carboxylate |
| IUPAC Name | ethyl 5-amino-4-cyano-1-(3-methoxyphenyl)pyrazole-3-carboxylate |
| InChI | InChI=1S/C14H14N4O3/c1-3-21-14(19)12-11(8-15)13(16)18(17-12)9-5-4-6-10(7-9)20-2/h4-7H,3,16H2,1-2H3 |
| InChI Key | LLPZWIYSOWNJQQ-UHFFFAOYSA-N |
| MDL Number | MFCD09835750 |
| Molecular Formula | C14H14N4O3 |
| Molecular Weight | 286.2860 |
| SMILES | CCOC(=O)c1nn(c(c1C#N)N)c1cccc(c1)OC |
| Synonyms | ETHYL 5-AMINO-4-CYANO-1-(3-METHOXYPHENYL)PYRAZOLE-3-CARBOXYLATE,
1150164-14-9,
CTK4A9080,
DTXSID60674867,
ANW-16792,
MFCD09835750,
ZINC38537314,
AKOS015854699,
RTR-002791,
CJ-19427,
TR-002791,
Z7573,
K-1075,
Ethyl 5-amino-4-cyano-1-(3-methoxyphenyl)-1H-pyrazole-3-carboxylate,
1H-Pyrazole-3-carboxylic acid, 5-amino-4-cyano-1-(3-methoxyphenyl)-, ethyl ester,
C14H14N4O3,
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.291g/mol |
| Monoisotopic Mass | 286.107g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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