4-{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}-N-[(furan-2-yl)methyl]-1-methyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}-N-[(furan-2-yl)methyl]-1-methyl-1H-pyrazole-3-carboxamide
4-{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}-N-[(furan-2-yl)methyl]-1-methyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-9547 |
| Compound Name: | 4-{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}-N-[(furan-2-yl)methyl]-1-methyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 483.87 |
| Molecular Formula: | C21 H18 Cl N7 O5 |
| Smiles: | Cn1cc(c(C(NCc2ccco2)=O)n1)NC(c1ccc(Cn2cc(c(n2)[N+]([O-])=O)[Cl])cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8633 |
| logD: | 0.9514 |
| logSw: | -2.8329 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.746 |
| InChI Key: | VLMJRKGQFCCBES-UHFFFAOYSA-N |