5-nitro-1-(propan-2-yl)-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-nitro-1-(propan-2-yl)-1H-pyrazole-3-carboxylic acid
5-nitro-1-(propan-2-yl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y507-1354 |
| Compound Name: | 5-nitro-1-(propan-2-yl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 199.16 |
| Molecular Formula: | C7 H9 N3 O4 |
| Smiles: | CC(C)n1c(cc(C(O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.5258 |
| logD: | -3.0446 |
| logSw: | -0.9347 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.804 |
| InChI Key: | AEEKPQDFWGOFNH-UHFFFAOYSA-N |