N-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
N-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-4801 |
| Compound Name: | N-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 312.71 |
| Molecular Formula: | C11 H13 Cl N6 O3 |
| Smiles: | Cn1cc(c(C(NCCCn2cc(cn2)[Cl])=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.0486 |
| logD: | 0.0485 |
| logSw: | -2.0254 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.685 |
| InChI Key: | VGXWBMUYXFPBDE-UHFFFAOYSA-N |