HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-[(isopropylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid
1-methyl-3-[(propan-2-yl)carbamoyl]-1H-pyrazole-5-carboxylic acid · 3-[(isopropylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid · 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-[[(1-methylethyl)amino]carbonyl]-
![3-[(isopropylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid molecular structure](/img/chemical/4142089.png)
Identifiers & Physical Properties
| CAS No. | 514818-13-4 |
|---|---|
| Molecular formula | C9H13N3O3 |
| Average molar mass | 211.22 g/mol |
| SMILES | CC(C)NC(=O)c1cc(C(=O)O)n(C)n1 |
| InChIKey | DEDKEFBHLYRAJT-UHFFFAOYSA-N |
| PubChem CID | 4142089 |
| EC No. | 188-853-6 |
Chemical & Physical Properties
| XLogP | 0.5 |
|---|---|
| Topological polar surface area | 84.2 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 267 |