N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | 4487-0538 |
| Compound Name: | N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 278.27 |
| Molecular Formula: | C11 H14 N6 O3 |
| Smiles: | Cc1c(CNC(c2c(cnn2C)[N+]([O-])=O)=O)cnn1C |
| Stereo: | ACHIRAL |
| logP: | -0.3423 |
| logD: | -0.3428 |
| logSw: | -1.3938 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.734 |
| InChI Key: | XYBREHXBDKRBLP-UHFFFAOYSA-N |