N-(2-butylphenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(2-butylphenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
N-(2-butylphenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y501-3061 |
| Compound Name: | N-(2-butylphenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 302.33 |
| Molecular Formula: | C15 H18 N4 O3 |
| Smiles: | CCCCc1ccccc1NC(c1c(cnn1C)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1434 |
| logD: | 3.1299 |
| logSw: | -3.4251 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.228 |
| InChI Key: | ZOVAMJFQIPRVMO-UHFFFAOYSA-N |