| CAS Number | 1499395-16-2 |
| Catalog Number | AG001M4X(AGN-PC-0WAHB4) |
| Chemical Name | ethyl 1-(4-aminopyridin-2-yl)-1H-pyrazole-4-carboxylate |
| IUPAC Name | ethyl 1-(4-aminopyridin-2-yl)pyrazole-4-carboxylate |
| InChI | InChI=1S/C11H12N4O2/c1-2-17-11(16)8-6-14-15(7-8)10-5-9(12)3-4-13-10/h3-7H,2H2,1H3,(H2,12,13) |
| InChI Key | TVNQXHKRQLVTQH-UHFFFAOYSA-N |
| MDL Number | MFCD25621062 |
| Molecular Formula | C11H12N4O2 |
| Molecular Weight | 232.2386 |
| SMILES | CCOC(=O)c1cnn(c1)-c1cc(N)ccn1 |
| Synonyms | Ethyl 1-(4-aminopyridin-2-yl)-1H-pyrazole-4-carboxylate,
1499395-16-2,
MFCD25621062,
ZINC97463409,
AKOS020077465,
IMED1460699744,
AK161415,
OR302592,
AJ-138485,
AX8294357,
CS-0061586,
1H-Pyrazole-4-carboxylic acid, 1-(4-amino-2-pyridinyl)-, ethyl ester,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.243g/mol |
| Monoisotopic Mass | 232.096g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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