| CAS Number | 126865-28-9 |
| Catalog Number | AG01C58K |
| Chemical Name | methyl 5-amino-3-(2-hydroxyethoxy)-1-methyl-1H-pyrazole-4-carboxylate |
| IUPAC Name | methyl 5-amino-3-(2-hydroxyethoxy)-1-methylpyrazole-4-carboxylate |
| InChI | InChI=1S/C8H13N3O4/c1-11-6(9)5(8(13)14-2)7(10-11)15-4-3-12/h12H,3-4,9H2,1-2H3 |
| InChI Key | NUTVPCQGMFYYQY-UHFFFAOYSA-N |
| MDL Number | MFCD24633941 |
| Molecular Formula | C8H13N3O4 |
| Molecular Weight | 215.2065 |
| SMILES | COC(C1C(OCCO)=NN(C)C=1N)=O |
| Synonyms | methyl 5-amino-3-(2-hydroxyethoxy)-1-methyl-1H-pyrazole-4-carboxylate,
126865-28-9,
AKOS033908041,
ZINC139207374,
Z2429425530,
methyl 5-amino-3-(2-hydroxyethoxy)-1-methylpyrazole-4-carboxylate,
5-Amino-3-(2-hydroxyethoxy)-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.209g/mol |
| Monoisotopic Mass | 215.091g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 99.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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