ethyl 5-(3,4-dimethylphenyl)-1-{4-[(2-methylprop-2-en-1-yl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(3,4-dimethylphenyl)-1-{4-[(2-methylprop-2-en-1-yl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
ethyl 5-(3,4-dimethylphenyl)-1-{4-[(2-methylprop-2-en-1-yl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V004-9573 |
| Compound Name: | ethyl 5-(3,4-dimethylphenyl)-1-{4-[(2-methylprop-2-en-1-yl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 417.51 |
| Molecular Formula: | C25 H27 N3 O3 |
| Smiles: | CCOC(c1cc(c2ccc(C)c(C)c2)n(c2ccc(cc2)C(NCC(C)=C)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5308 |
| logD: | 5.5308 |
| logSw: | -5.3869 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.5 |
| InChI Key: | KFBGMOQFFGAKAD-UHFFFAOYSA-N |