methyl 3-[4-(propan-2-yl)phenyl]-1H-pyrazole-5-carboxylate
Chemical Structure Depiction of
methyl 3-[4-(propan-2-yl)phenyl]-1H-pyrazole-5-carboxylate
methyl 3-[4-(propan-2-yl)phenyl]-1H-pyrazole-5-carboxylate
Compound characteristics
| Compound ID: | C796-0471 |
| Compound Name: | methyl 3-[4-(propan-2-yl)phenyl]-1H-pyrazole-5-carboxylate |
| Molecular Weight: | 244.29 |
| Molecular Formula: | C14 H16 N2 O2 |
| Smiles: | CC(C)c1ccc(cc1)c1cc(C(=O)OC)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9678 |
| logD: | 3.9677 |
| logSw: | -4.1817 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.902 |
| InChI Key: | CQTNGBMBABIPSI-UHFFFAOYSA-N |