N-cyclooctyl-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-cyclooctyl-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
N-cyclooctyl-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-1696 |
| Compound Name: | N-cyclooctyl-1-methyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 280.32 |
| Molecular Formula: | C13 H20 N4 O3 |
| Smiles: | Cn1cc(c(C(NC2CCCCCCC2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2553 |
| logD: | 2.2553 |
| logSw: | -2.3834 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.144 |
| InChI Key: | CFMCSMWPWNUVOQ-UHFFFAOYSA-N |