4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanoic acid
Chemical Structure Depiction of
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanoic acid
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanoic acid
Compound characteristics
| Compound ID: | R052-2668 |
| Compound Name: | 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanoic acid |
| Molecular Weight: | 227.22 |
| Molecular Formula: | C9 H13 N3 O4 |
| Smiles: | Cc1c(c(C)n(CCCC(O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.1551 |
| logD: | -2.8743 |
| logSw: | -0.2152 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.934 |
| InChI Key: | OKRDHPPYUAMLIR-UHFFFAOYSA-N |