2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[4-(cyanomethyl)phenyl]propanamide
Chemical Structure Depiction of
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[4-(cyanomethyl)phenyl]propanamide
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[4-(cyanomethyl)phenyl]propanamide
Compound characteristics
| Compound ID: | 8013-2528 |
| Compound Name: | 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[4-(cyanomethyl)phenyl]propanamide |
| Molecular Weight: | 392.21 |
| Molecular Formula: | C15 H14 Br N5 O3 |
| Smiles: | CC(C(Nc1ccc(CC#N)cc1)=O)n1c(C)c(c(n1)[N+]([O-])=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7253 |
| logD: | 1.7253 |
| logSw: | -2.2271 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.201 |
| InChI Key: | FIYCBKDMTIGAFG-JTQLQIEISA-N |