4-[3-(3-nitro-1H-pyrazol-1-yl)propanamido]benzoic acid
Chemical Structure Depiction of
4-[3-(3-nitro-1H-pyrazol-1-yl)propanamido]benzoic acid
4-[3-(3-nitro-1H-pyrazol-1-yl)propanamido]benzoic acid
Compound characteristics
| Compound ID: | Y502-9648 |
| Compound Name: | 4-[3-(3-nitro-1H-pyrazol-1-yl)propanamido]benzoic acid |
| Molecular Weight: | 304.26 |
| Molecular Formula: | C13 H12 N4 O5 |
| Smiles: | C(Cn1ccc(n1)[N+]([O-])=O)C(Nc1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0565 |
| logD: | -1.3387 |
| logSw: | -2.0545 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.008 |
| InChI Key: | BRBXNVVKQUAQKA-UHFFFAOYSA-N |