5-{1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]piperidin-3-yl}-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]piperidin-3-yl}-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]piperidin-3-yl}-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | P940-4622 |
| Compound Name: | 5-{1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]piperidin-3-yl}-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C22 H28 N6 O2 |
| Smiles: | Cc1cc(C)n(CCC(N2CCCC(C2)C2=NN(C)C(N2c2ccccc2)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.375 |
| logD: | 1.3748 |
| logSw: | -1.6897 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.525 |
| InChI Key: | AZZNXVMDEARRQD-SFHVURJKSA-N |