| CAS Number | 268204-00-8 |
| Catalog Number | AG01BBOI(AGN-PC-0WP18X) |
| Chemical Name | 4-Amino-1-Methyl-3-(2-Methylpropyl)-1H-Pyrazole-5-Carboxamide |
| IUPAC Name | 4-amino-2-methyl-5-(2-methylpropyl)pyrazole-3-carboxamide |
| InChI | InChI=1S/C9H16N4O/c1-5(2)4-6-7(10)8(9(11)14)13(3)12-6/h5H,4,10H2,1-3H3,(H2,11,14) |
| InChI Key | UJHDMDWBKLTXKL-UHFFFAOYSA-N |
| MDL Number | MFCD28506072 |
| Molecular Formula | C9H16N4O |
| Molecular Weight | 196.2495 |
| SMILES | O=C(C1=C(N)C(CC(C)C)=NN1C)N |
| Synonyms | 4-amino-1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxamide,
268204-00-8,
SCHEMBL7008426,
ZINC164593148,
4-amino-2-methyl-5-(2-methylpropyl)pyrazole-3-carboxamide,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.132411g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.25g/mol |
| Monoisotopic Mass | 196.132411g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 86.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number