4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[(thiophen-2-yl)methyl]butanamide
Chemical Structure Depiction of
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[(thiophen-2-yl)methyl]butanamide
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[(thiophen-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | C163-0070 |
| Compound Name: | 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[(thiophen-2-yl)methyl]butanamide |
| Molecular Weight: | 342.8 |
| Molecular Formula: | C13 H15 Cl N4 O3 S |
| Smiles: | Cc1c(c(nn1CCCC(NCc1cccs1)=O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.564 |
| logD: | 1.564 |
| logSw: | -3.2106 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.726 |
| InChI Key: | DOUGKLDOCONZLY-UHFFFAOYSA-N |