3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde
Chemical Structure Depiction of
3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde
3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde
Compound characteristics
| Compound ID: | R052-2725 |
| Compound Name: | 3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde |
| Molecular Weight: | 244.29 |
| Molecular Formula: | C14 H16 N2 O2 |
| Smiles: | CCCCOc1ccc(cc1)c1c(C=O)c[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.1807 |
| logD: | 3.1806 |
| logSw: | -3.0526 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.005 |
| InChI Key: | DJGWVBUFVDQWPI-UHFFFAOYSA-N |