ethyl 1-[4-(butylcarbamoyl)phenyl]-5-(3-methylbutyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-(butylcarbamoyl)phenyl]-5-(3-methylbutyl)-1H-pyrazole-3-carboxylate
ethyl 1-[4-(butylcarbamoyl)phenyl]-5-(3-methylbutyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V014-9379 |
| Compound Name: | ethyl 1-[4-(butylcarbamoyl)phenyl]-5-(3-methylbutyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 385.51 |
| Molecular Formula: | C22 H31 N3 O3 |
| Smiles: | CCCCNC(c1ccc(cc1)n1c(CCC(C)C)cc(C(=O)OCC)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6692 |
| logD: | 4.6692 |
| logSw: | -4.2546 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.094 |
| InChI Key: | FDTOPVWSQOGLKW-UHFFFAOYSA-N |