N-(4-bromo-2-methylphenyl)-1-[(4-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-1-[(4-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
N-(4-bromo-2-methylphenyl)-1-[(4-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-3899 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-1-[(4-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 405.21 |
| Molecular Formula: | C15 H13 Br N6 O3 |
| Smiles: | Cc1cc(ccc1NC(c1ccn(Cn2cc(cn2)[N+]([O-])=O)n1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.5302 |
| logD: | 2.5291 |
| logSw: | -2.7811 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.601 |
| InChI Key: | VSKMGOLFNMJZRL-UHFFFAOYSA-N |