1-[{[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}(propyl)amino]-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Chemical Structure Depiction of
1-[{[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}(propyl)amino]-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
1-[{[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}(propyl)amino]-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Compound characteristics
| Compound ID: | V017-5780 |
| Compound Name: | 1-[{[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}(propyl)amino]-3-[(prop-2-yn-1-yl)oxy]propan-2-ol |
| Molecular Weight: | 498.02 |
| Molecular Formula: | C27 H32 Cl N3 O4 |
| Salt: | not_available |
| Smiles: | CCCN(CC(COCC#C)O)Cc1c(C)nn(c2ccc(cc2)[Cl])c1Oc1ccccc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8467 |
| logD: | 3.4559 |
| logSw: | -4.7285 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.571 |
| InChI Key: | XHNHUQATRUROHX-QHCPKHFHSA-N |