TL;DR: 1H-Pyrazole, 1-acetyl-4,5-dihydro-5-(2-fluorophenyl)-3-(2-(((2-methyl-1H-indol-3-yl)methylene)amino)phenyl)- (CAS 133381-50-7) is a chemical compound with molecular formula C27H23FN4O and molecular weight 438.18558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-(2-fluorophenyl)-5-[2-[(2-methyl-1H-indol-3-yl)methylideneamino]phenyl]-3,4-dihydropyrazol-2-yl]ethanone
Also Known As: 1H-Pyrazole, 1-acetyl-4,5-dihydro-5-(2-fluorophenyl)-3-(2-(((2-methyl-1H-indol-3-yl)methylene)amino)phenyl)-, 1-[3-(2-fluorophenyl)-5-[2-[[(E)-(2-methylindol-3-ylidene)methyl]amino]phenyl]-3,4-dihydropyrazol-2-yl]ethanone, 1-[3-(2-fluorophenyl)-5-[2-[[(Z)-(2-methylindol-3-ylidene)methyl]amino]phenyl]-3,4-dihydropyrazol-2-yl]ethanone
| Molecular Formula | C27H23FN4O |
| Molecular Weight | 438.18558 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 60.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.18558 Da |
| Heavy Atoms | 33 |
| Complexity | 769.0 |
| SMILES | CC1=C(C2=CC=CC=C2N1)C=NC3=CC=CC=C3C4=NN(C(C4)C5=CC=CC=C5F)C(=O)C |
| InChIKey | ZKNOBOGMZNQYCW-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 1H-Pyrazole, 1-acetyl-4,5-dihydro-5-(2-fluorophenyl)-3-(2-(((2-methyl-1H-indol-3-yl)methylene)amino)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole, 1-acetyl-4,5-dihydro-5-(2-fluorophenyl)-3-(2-(((2-methyl-1H-indol-3-yl)methylene)amino)phenyl)-. Following Lipinski's Rule of Five, 1H-Pyrazole, 1-acetyl-4,5-dihydro-5-(2-fluorophenyl)-3-(2-(((2-methyl-1H-indol-3-yl)methylene)amino)phenyl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Pyrazole, 1-acetyl-4,5-dihydro-5-(2-fluorophenyl)-3-(2-(((2-methyl-1H-indol-3-yl)methylene)amino)phenyl)- is 133381-50-7.
The molecular formula of 1H-Pyrazole, 1-acetyl-4,5-dihydro-5-(2-fluorophenyl)-3-(2-(((2-methyl-1H-indol-3-yl)methylene)amino)phenyl)- is C27H23FN4O.
The molecular weight of 1H-Pyrazole, 1-acetyl-4,5-dihydro-5-(2-fluorophenyl)-3-(2-(((2-methyl-1H-indol-3-yl)methylene)amino)phenyl)- is 438.18558 g/mol.
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