ethyl 1-{4-[butyl(methyl)carbamoyl]phenyl}-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[butyl(methyl)carbamoyl]phenyl}-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxylate
ethyl 1-{4-[butyl(methyl)carbamoyl]phenyl}-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V004-9547 |
| Compound Name: | ethyl 1-{4-[butyl(methyl)carbamoyl]phenyl}-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C25 H29 N3 O4 |
| Smiles: | CCCCN(C)C(c1ccc(cc1)n1c(cc(C(=O)OCC)n1)c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3832 |
| logD: | 4.3832 |
| logSw: | -4.1112 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.759 |
| InChI Key: | AOHRAJPRQCYTDA-UHFFFAOYSA-N |