4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N,N-dicyclohexylbutanamide
Chemical Structure Depiction of
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N,N-dicyclohexylbutanamide
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N,N-dicyclohexylbutanamide
Compound characteristics
| Compound ID: | C226-4265 |
| Compound Name: | 4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N,N-dicyclohexylbutanamide |
| Molecular Weight: | 455.39 |
| Molecular Formula: | C20 H31 Br N4 O3 |
| Smiles: | Cc1c(c(nn1CCCC(N(C1CCCCC1)C1CCCCC1)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.1861 |
| logD: | 4.1861 |
| logSw: | -4.0455 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.517 |
| InChI Key: | AYGNEPYRGWPRSH-UHFFFAOYSA-N |