ethyl 1-{4-[butyl(methyl)carbamoyl]phenyl}-5-(4-cyclohexylphenyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[butyl(methyl)carbamoyl]phenyl}-5-(4-cyclohexylphenyl)-1H-pyrazole-3-carboxylate
ethyl 1-{4-[butyl(methyl)carbamoyl]phenyl}-5-(4-cyclohexylphenyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V013-9439 |
| Compound Name: | ethyl 1-{4-[butyl(methyl)carbamoyl]phenyl}-5-(4-cyclohexylphenyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 487.64 |
| Molecular Formula: | C30 H37 N3 O3 |
| Smiles: | CCCCN(C)C(c1ccc(cc1)n1c(cc(C(=O)OCC)n1)c1ccc(cc1)C1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7444 |
| logD: | 6.7444 |
| logSw: | -5.7012 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.136 |
| InChI Key: | XPOACSSMLMFWIZ-UHFFFAOYSA-N |