1-({[1-methyl-5-(4-methylphenoxy)-3-phenyl-1H-pyrazol-4-yl]methyl}[(oxolan-2-yl)methyl]amino)-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Chemical Structure Depiction of
1-({[1-methyl-5-(4-methylphenoxy)-3-phenyl-1H-pyrazol-4-yl]methyl}[(oxolan-2-yl)methyl]amino)-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
1-({[1-methyl-5-(4-methylphenoxy)-3-phenyl-1H-pyrazol-4-yl]methyl}[(oxolan-2-yl)methyl]amino)-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Compound characteristics
| Compound ID: | V022-4011 |
| Compound Name: | 1-({[1-methyl-5-(4-methylphenoxy)-3-phenyl-1H-pyrazol-4-yl]methyl}[(oxolan-2-yl)methyl]amino)-3-[(prop-2-yn-1-yl)oxy]propan-2-ol |
| Molecular Weight: | 489.61 |
| Molecular Formula: | C29 H35 N3 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)Oc1c(CN(CC(COCC#C)O)CC2CCCO2)c(c2ccccc2)nn1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7266 |
| logD: | 3.3772 |
| logSw: | -3.996 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.602 |
| InChI Key: | XDWPMIASCHSVMY-UHFFFAOYSA-N |