| CAS Number | 210163-95-4 |
| Catalog Number | AG01A44R(AGN-PC-0NKZI0) |
| Chemical Name | Methyl 4-amino-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate |
| IUPAC Name | methyl 4-amino-2-ethyl-5-methylpyrazole-3-carboxylate |
| InChI | InChI=1S/C8H13N3O2/c1-4-11-7(8(12)13-3)6(9)5(2)10-11/h4,9H2,1-3H3 |
| InChI Key | NKACTNNLKYBGGW-UHFFFAOYSA-N |
| MDL Number | MFCD11108200 |
| Molecular Formula | C8H13N3O2 |
| Molecular Weight | 183.2077 |
| SMILES | CCN1C(C(OC)=O)=C(N)C(C)=N1 |
| Synonyms | methyl 4-amino-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate,
210163-95-4,
SCHEMBL17163996,
ZINC26470950,
AKOS006308424,
NE54006,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.211g/mol |
| Monoisotopic Mass | 183.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number