1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)-1H-pyrazole-3-carboxamide
1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-5940 |
| Compound Name: | 1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 383.32 |
| Molecular Formula: | C17 H13 N5 O6 |
| Smiles: | Cn1cc(c(C(Nc2cc(cc(c2)Oc2ccccc2)[N+]([O-])=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2128 |
| logD: | 2.6691 |
| logSw: | -3.7306 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.895 |
| InChI Key: | HVDDFEFAGZPZGS-UHFFFAOYSA-N |