TL;DR: 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine (CAS 909857-89-2) is a chemical compound with molecular formula C20H18N6O2 and molecular weight 374.1491 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine, [3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene-(1,2,4-triazol-4-yl)amine, 1-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-N-(1,2,4-triazol-4-yl)methanimine, 1-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine, 1-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(4H-1,2,4-triazol-4-yl)methanimine
| Molecular Formula | C20H18N6O2 |
| Molecular Weight | 374.1491 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 79.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.1491 Da |
| Heavy Atoms | 28 |
| Complexity | 509.0 |
| SMILES | COC1=C(C=C(C=C1)C2=NN(C=C2C=NN3C=NN=C3)C4=CC=CC=C4)OC |
| InChIKey | GZMLPPMEXOFJTH-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine. Following Lipinski's Rule of Five, 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine is 909857-89-2.
The molecular formula of 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine is C20H18N6O2.
The molecular weight of 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine is 374.1491 g/mol.
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