N-(3,4-dimethylphenyl)-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-(3,4-dimethylphenyl)-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y508-1084 |
| Compound Name: | N-(3,4-dimethylphenyl)-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C20 H20 N4 O3 |
| Smiles: | Cc1ccc(cc1C)NC(c1ccc(Cn2c(C)cc(n2)[N+]([O-])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6374 |
| logD: | 3.6373 |
| logSw: | -3.813 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.104 |
| InChI Key: | KWQHQHRCYPQUKM-UHFFFAOYSA-N |