ethyl 4-[1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperazine-1-carboxylate
ethyl 4-[1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | G013-0125 |
| Compound Name: | ethyl 4-[1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperazine-1-carboxylate |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C22 H25 N5 O3 |
| Smiles: | CCOC(N1CCN(CC1)C(c1cnn(c2cccc(C)c2)c1n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7536 |
| logD: | 3.7536 |
| logSw: | -3.5983 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.523 |
| InChI Key: | CEKITOQGDCZSFC-UHFFFAOYSA-N |