N-{3-methyl-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-(3-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-{3-methyl-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-(3-nitro-1H-pyrazol-1-yl)butanamide
N-{3-methyl-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-(3-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | 8017-0387 |
| Compound Name: | N-{3-methyl-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-(3-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 382.42 |
| Molecular Formula: | C19 H22 N6 O3 |
| Smiles: | Cc1cccc(Cn2c(cc(C)n2)NC(CCCn2ccc(n2)[N+]([O-])=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.5055 |
| logD: | 1.5051 |
| logSw: | -2.234 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.705 |
| InChI Key: | AYXUWSCRGHVFOF-UHFFFAOYSA-N |