3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)prop-2-enoic acid
Chemical Structure Depiction of
3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)prop-2-enoic acid
3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)prop-2-enoic acid
Compound characteristics
| Compound ID: | Y501-6283 |
| Compound Name: | 3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)prop-2-enoic acid |
| Molecular Weight: | 180.2 |
| Molecular Formula: | C9 H12 N2 O2 |
| Smiles: | CCn1c(C)c(/C=C/C(O)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 1.0581 |
| logD: | -0.6507 |
| logSw: | -0.9696 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.547 |
| InChI Key: | YUDAQQKQCULJEW-UHFFFAOYSA-N |