N-{4-[acetyl(methyl)amino]phenyl}-4-bromo-5-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-{4-[acetyl(methyl)amino]phenyl}-4-bromo-5-nitro-1H-pyrazole-3-carboxamide
N-{4-[acetyl(methyl)amino]phenyl}-4-bromo-5-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-1295 |
| Compound Name: | N-{4-[acetyl(methyl)amino]phenyl}-4-bromo-5-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 382.17 |
| Molecular Formula: | C13 H12 Br N5 O4 |
| Smiles: | CC(N(C)c1ccc(cc1)NC(c1c(c([nH]n1)[N+]([O-])=O)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1452 |
| logD: | 1.0866 |
| logSw: | -2.2109 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.284 |
| InChI Key: | HGTNBXJZMMFHSV-UHFFFAOYSA-N |