4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid
Chemical Structure Depiction of
4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid
4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid
Compound characteristics
| Compound ID: | R052-2695 |
| Compound Name: | 4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid |
| Molecular Weight: | 213.19 |
| Molecular Formula: | C8 H11 N3 O4 |
| Smiles: | Cc1cc(nn1CCCC(O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.4142 |
| logD: | -3.1334 |
| logSw: | -0.7504 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.646 |
| InChI Key: | VYLGYJSYRJTZMP-UHFFFAOYSA-N |