| MolName | 2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol |
| MolecularFormula | C24H22N2O3 |
| Smiles | Cc([nH]nc1-c(ccc(OCc2ccccc2)c2)c2O)c1-c(cccc1)c1OC |
| InChI | InChI=1S/C24H22N2O3/c1-16-23(20-10-6-7-11-22(20)28-2)24(26-25-16)19-13-12-18(14-21(19)27)29-15-17-8-4-3-5-9-17/h3-14,27H,15H2,1-2H3,(H,25,26) |
| InChIK | GHZFRQSKRZHFOG-UHFFFAOYSA-N |
| TotalMolweight | 386.45 |
| Molweight | 386.45 |
| MonoisotopicMass | 386.163043 |
| CLogP | 4.2929 |
| CLogS | -5.484 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 305.5 |
| Relative PSA | 0.19005 |
| PolarSurfaceArea | 67.37 |
| Druglikeness | 1.7705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol | 2 - 2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol