2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(cyanomethyl)acetamide
Chemical Structure Depiction of
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(cyanomethyl)acetamide
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(cyanomethyl)acetamide
Compound characteristics
| Compound ID: | Y500-0667 |
| Compound Name: | 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(cyanomethyl)acetamide |
| Molecular Weight: | 302.08 |
| Molecular Formula: | C8 H8 Br N5 O3 |
| Smiles: | Cc1c(c(nn1CC(NCC#N)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 0.059 |
| logD: | 0.059 |
| logSw: | -1.0895 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.334 |
| InChI Key: | RIDYVMYMSJPQDQ-UHFFFAOYSA-N |