1-[{[3-methyl-5-(3-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methylpropyl)amino]-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Chemical Structure Depiction of
1-[{[3-methyl-5-(3-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methylpropyl)amino]-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
1-[{[3-methyl-5-(3-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methylpropyl)amino]-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Compound characteristics
| Compound ID: | V019-0217 |
| Compound Name: | 1-[{[3-methyl-5-(3-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methylpropyl)amino]-3-[(prop-2-yn-1-yl)oxy]propan-2-ol |
| Molecular Weight: | 461.6 |
| Molecular Formula: | C28 H35 N3 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CN(CC(COCC#C)O)Cc1c(C)nn(c2ccccc2)c1Oc1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1023 |
| logD: | 3.6936 |
| logSw: | -4.9526 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.876 |
| InChI Key: | VNKDFJRMRNMFQM-VWLOTQADSA-N |