N-(3-methyl-4-nitro-1H-pyrazol-5-yl)-beta-alanine
Chemical Structure Depiction of
N-(3-methyl-4-nitro-1H-pyrazol-5-yl)-beta-alanine
N-(3-methyl-4-nitro-1H-pyrazol-5-yl)-beta-alanine
Compound characteristics
| Compound ID: | 8007-1816 |
| Compound Name: | N-(3-methyl-4-nitro-1H-pyrazol-5-yl)-beta-alanine |
| Molecular Weight: | 214.18 |
| Molecular Formula: | C7 H10 N4 O4 |
| Smiles: | Cc1c(c(NCCC(O)=O)[nH]n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.6896 |
| logD: | -3.3724 |
| logSw: | -0.4672 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.728 |
| InChI Key: | GIAXDAKDZMZDOP-UHFFFAOYSA-N |