3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid
Chemical Structure Depiction of
3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid
3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid
Compound characteristics
| Compound ID: | Y501-6277 |
| Compound Name: | 3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid |
| Molecular Weight: | 180.2 |
| Molecular Formula: | C9 H12 N2 O2 |
| Smiles: | CCn1cc(/C=C/C(O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.9369 |
| logD: | -0.7719 |
| logSw: | -0.8547 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.477 |
| InChI Key: | HCQQCFZNYLKPOS-UHFFFAOYSA-N |