1,5-dimethyl-N-[(4-methylphenyl)methyl]-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1,5-dimethyl-N-[(4-methylphenyl)methyl]-4-nitro-1H-pyrazole-3-carboxamide
1,5-dimethyl-N-[(4-methylphenyl)methyl]-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-1993 |
| Compound Name: | 1,5-dimethyl-N-[(4-methylphenyl)methyl]-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 288.3 |
| Molecular Formula: | C14 H16 N4 O3 |
| Smiles: | Cc1ccc(CNC(c2c(c(C)n(C)n2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7033 |
| logD: | 1.7027 |
| logSw: | -2.1944 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.464 |
| InChI Key: | VWRFDHYLJUPWTA-UHFFFAOYSA-N |