4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-cyclopentylbenzamide
Chemical Structure Depiction of
4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-cyclopentylbenzamide
4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-cyclopentylbenzamide
Compound characteristics
| Compound ID: | Y502-9531 |
| Compound Name: | 4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-cyclopentylbenzamide |
| Molecular Weight: | 348.79 |
| Molecular Formula: | C16 H17 Cl N4 O3 |
| Smiles: | C1CCC(C1)NC(c1ccc(Cn2cc(c(n2)[N+]([O-])=O)[Cl])cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7468 |
| logD: | 2.7468 |
| logSw: | -3.6308 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.339 |
| InChI Key: | JBPXFQMRAQULOC-UHFFFAOYSA-N |