1-{(butan-2-yl)[(1-methyl-5-phenoxy-3-phenyl-1H-pyrazol-4-yl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Chemical Structure Depiction of
1-{(butan-2-yl)[(1-methyl-5-phenoxy-3-phenyl-1H-pyrazol-4-yl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
1-{(butan-2-yl)[(1-methyl-5-phenoxy-3-phenyl-1H-pyrazol-4-yl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Compound characteristics
| Compound ID: | V015-7032 |
| Compound Name: | 1-{(butan-2-yl)[(1-methyl-5-phenoxy-3-phenyl-1H-pyrazol-4-yl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol |
| Molecular Weight: | 447.58 |
| Molecular Formula: | C27 H33 N3 O3 |
| Salt: | not_available |
| Smiles: | CCC(C)N(CC(COCC#C)O)Cc1c(c2ccccc2)nn(C)c1Oc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2277 |
| logD: | 2.0381 |
| logSw: | -4.2256 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.439 |
| InChI Key: | XKQMEADLIKYDSS-UHFFFAOYSA-N |