N-{1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperidin-3-yl}but-2-ynamide
Chemical Structure Depiction of
N-{1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperidin-3-yl}but-2-ynamide
N-{1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperidin-3-yl}but-2-ynamide
Compound characteristics
| Compound ID: | T002-3018 |
| Compound Name: | N-{1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperidin-3-yl}but-2-ynamide |
| Molecular Weight: | 364.45 |
| Molecular Formula: | C21 H24 N4 O2 |
| Smiles: | CC#CC(NC1CCCN(C1)C(c1cc(c2ccc(C)cc2C)n[nH]1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4372 |
| logD: | 3.4368 |
| logSw: | -3.5729 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.315 |
| InChI Key: | CVIDTJGWYRGOHO-INIZCTEOSA-N |