| CAS Number | 384835-92-1 |
| Catalog Number | AG01AQJ9(AGN-PC-0RGM1R) |
| Chemical Name | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-[(4-methoxyphenyl)methyl]-,ethyl ester |
| IUPAC Name | ethyl 5-amino-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate |
| InChI | InChI=1S/C14H17N3O3/c1-3-20-14(18)12-8-16-17(13(12)15)9-10-4-6-11(19-2)7-5-10/h4-8H,3,9,15H2,1-2H3 |
| InChI Key | DDLNBTLDLFUKNK-UHFFFAOYSA-N |
| MDL Number | MFCD16631856 |
| Molecular Formula | C14H17N3O3 |
| Molecular Weight | 275.3031 |
| SMILES | O=C(C1=C(N)N(CC2=CC=C(OC)C=C2)N=C1)OCC |
| Synonyms | ethyl 5-amino-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate,
384835-92-1,
SCHEMBL370942,
DDLNBTLDLFUKNK-UHFFFAOYSA-N,
ZINC36657703,
AKOS015957426,
MCULE-6806361466,
ethyl 5-amino-1-p-methoxybenzyl-4-pyrazolecarboxylate,
F2161-0045,
ethyl 5-amino-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate,
1-(4-Methoxybenzyl)-5-amino-1H-pyrazole-4-carboxylic acid ethyl ester,
ethyl 5-amino-1-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxylate,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.308g/mol |
| Monoisotopic Mass | 275.127g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 79.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number