N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0204 |
| Compound Name: | N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C21 H26 N6 O3 |
| Smiles: | Cc1ccc(Cn2c(C)c(c(C)n2)NC(CCCn2c(C)cc(n2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.2218 |
| logD: | 1.2214 |
| logSw: | -2.387 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.026 |
| InChI Key: | MEASFCLYKMCDNP-UHFFFAOYSA-N |