N-{1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanamide
Chemical Structure Depiction of
N-{1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanamide
N-{1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanamide
Compound characteristics
| Compound ID: | Y501-5654 |
| Compound Name: | N-{1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanamide |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C21 H26 N6 O5 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(c(c2)OC)OC)n1)NC(C(C)(C)n1cc(cn1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0571 |
| logD: | 1.0568 |
| logSw: | -2.4804 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.803 |
| InChI Key: | FEYVDIOIEPQDAW-UHFFFAOYSA-N |