5-(methoxycarbonyl)-1-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-(methoxycarbonyl)-1-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxylic acid
5-(methoxycarbonyl)-1-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y507-1233 |
| Compound Name: | 5-(methoxycarbonyl)-1-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 266.17 |
| Molecular Formula: | C9 H9 F3 N2 O4 |
| Smiles: | COC(c1cc(C(O)=O)nn1CCC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5415 |
| logD: | -2.9313 |
| logSw: | -0.6557 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.029 |
| InChI Key: | XQDLIARZXIFKFA-UHFFFAOYSA-N |