ethyl 5-(3-methylbutyl)-1-{4-[(2-methylpropyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(3-methylbutyl)-1-{4-[(2-methylpropyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
ethyl 5-(3-methylbutyl)-1-{4-[(2-methylpropyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V016-6142 |
| Compound Name: | ethyl 5-(3-methylbutyl)-1-{4-[(2-methylpropyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 385.51 |
| Molecular Formula: | C22 H31 N3 O3 |
| Smiles: | CCOC(c1cc(CCC(C)C)n(c2ccc(cc2)C(NCC(C)C)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4419 |
| logD: | 4.4419 |
| logSw: | -4.1662 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.252 |
| InChI Key: | QONAXPLCSXSUKX-UHFFFAOYSA-N |