4-cyclopentyl-5-{1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]piperidin-3-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-cyclopentyl-5-{1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]piperidin-3-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-cyclopentyl-5-{1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]piperidin-3-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | P940-4321 |
| Compound Name: | 4-cyclopentyl-5-{1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]piperidin-3-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 400.52 |
| Molecular Formula: | C21 H32 N6 O2 |
| Smiles: | Cc1cc(C)n(CCC(N2CCCC(C2)C2=NN(C)C(N2C2CCCC2)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3916 |
| logD: | 1.3888 |
| logSw: | -1.5141 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.724 |
| InChI Key: | QUADZWONOOHAAS-KRWDZBQOSA-N |