3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)prop-2-enoic acid
Chemical Structure Depiction of
3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)prop-2-enoic acid
3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)prop-2-enoic acid
Compound characteristics
| Compound ID: | Y507-0005 |
| Compound Name: | 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)prop-2-enoic acid |
| Molecular Weight: | 242.27 |
| Molecular Formula: | C14 H14 N2 O2 |
| Smiles: | Cc1c(/C=C/C(O)=O)c(C)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.2061 |
| logD: | 0.6933 |
| logSw: | -2.3051 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.04 |
| InChI Key: | KORDNSZOFTZOCA-UHFFFAOYSA-N |