TL;DR: 4(3H)-Quinazolinone, 3-(1-phenyl-1H-pyrazol-5-yl)- (CAS 131084-69-0) is a chemical compound with molecular formula C17H12N4O and molecular weight 288.1011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-phenylpyrazol-3-yl)quinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 3-(1-phenyl-1H-pyrazol-5-yl)-, 3-(1-Phenyl-1H-pyrazol-5-yl)-4(3H)-quinazolinone, 3-(2-phenylpyrazol-3-yl)quinazolin-4-one, 3-(1-phenyl-1h-pyrazol-5-yl)quinazolin-4(3h)-one, 1-Phenyl-5-[(3,4-dihydro-4-oxoquinazolin)-3-yl]-1H-pyrazole
| Molecular Formula | C17H12N4O |
| Molecular Weight | 288.1011 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.1011 Da |
| Heavy Atoms | 22 |
| Complexity | 446.0 |
| SMILES | C1=CC=C(C=C1)N2C(=CC=N2)N3C=NC4=CC=CC=C4C3=O |
| InChIKey | LLTSWKPTMMBXBT-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(3H)-Quinazolinone, 3-(1-phenyl-1H-pyrazol-5-yl)-. With a topological polar surface area (TPSA) of 50.5 Ų, 4(3H)-Quinazolinone, 3-(1-phenyl-1H-pyrazol-5-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 3-(1-phenyl-1H-pyrazol-5-yl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4(3H)-Quinazolinone, 3-(1-phenyl-1H-pyrazol-5-yl)- is 131084-69-0.
The molecular formula of 4(3H)-Quinazolinone, 3-(1-phenyl-1H-pyrazol-5-yl)- is C17H12N4O.
The molecular weight of 4(3H)-Quinazolinone, 3-(1-phenyl-1H-pyrazol-5-yl)- is 288.1011 g/mol.
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