1-methyl-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-methyl-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-4-nitro-1H-pyrazole-3-carboxamide
1-methyl-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-6182 |
| Compound Name: | 1-methyl-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 340.34 |
| Molecular Formula: | C16 H16 N6 O3 |
| Smiles: | Cc1ccccc1Cn1ccc(NC(c2c(cn(C)n2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.1988 |
| logD: | 1.6382 |
| logSw: | -2.5081 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.722 |
| InChI Key: | VDBYEQMIEUMDEY-UHFFFAOYSA-N |