3,4-dinitro-1-(propan-2-yl)-1H-pyrazole-5-carboxylic acid
Chemical Structure Depiction of
3,4-dinitro-1-(propan-2-yl)-1H-pyrazole-5-carboxylic acid
3,4-dinitro-1-(propan-2-yl)-1H-pyrazole-5-carboxylic acid
Compound characteristics
| Compound ID: | Y507-5336 |
| Compound Name: | 3,4-dinitro-1-(propan-2-yl)-1H-pyrazole-5-carboxylic acid |
| Molecular Weight: | 244.16 |
| Molecular Formula: | C7 H8 N4 O6 |
| Smiles: | CC(C)n1c(C(O)=O)c(c(n1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.4222 |
| logD: | -5.2258 |
| logSw: | -0.6227 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.215 |
| InChI Key: | IBOXBHMVMDVEQZ-UHFFFAOYSA-N |