| CAS Number | 15001-12-4 |
| Catalog Number | AG01FL0Z(AGN-PC-0Q451F) |
| Chemical Name | ethyl 5-amino-1-(3-methoxyphenyl)-1H-pyrazole-4-carboxylate |
| IUPAC Name | ethyl 5-amino-1-(3-methoxyphenyl)pyrazole-4-carboxylate |
| InChI | InChI=1S/C13H15N3O3/c1-3-19-13(17)11-8-15-16(12(11)14)9-5-4-6-10(7-9)18-2/h4-8H,3,14H2,1-2H3 |
| InChI Key | IVPHBHOKIBKHEE-UHFFFAOYSA-N |
| MDL Number | MFCD07388497 |
| Molecular Formula | C13H15N3O3 |
| Molecular Weight | 261.2765 |
| SMILES | NC1=C(C=NN1C1=CC(=CC=C1)OC)C(=O)OCC |
| Synonyms | 15001-12-4,
ethyl 5-amino-1-(3-methoxyphenyl)-1h-pyrazole-4-carboxylate,
SCHEMBL1353689,
ZINC34157355,
5-Amino-1-(3-methoxy-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.281g/mol |
| Monoisotopic Mass | 261.111g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 79.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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