methyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]benzoate
Chemical Structure Depiction of
methyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]benzoate
methyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]benzoate
Compound characteristics
| Compound ID: | C163-0239 |
| Compound Name: | methyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]benzoate |
| Molecular Weight: | 360.37 |
| Molecular Formula: | C17 H20 N4 O5 |
| Smiles: | Cc1c(c(C)n(CCCC(Nc2ccccc2C(=O)OC)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1551 |
| logD: | 1.0827 |
| logSw: | -2.2911 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.904 |
| InChI Key: | VVFSCFCPISULEC-UHFFFAOYSA-N |