TL;DR: 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-3(4H)-quinazolinyl)-1-phenyl-, methyl ester (CAS 131073-57-9) is a chemical compound with molecular formula C19H14N4O3 and molecular weight 346.1066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate
Also Known As: 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-3(4H)-quinazolinyl)-1-phenyl-, methyl ester, Methyl 5-(4-oxo-3(4H)-quinazolinyl)-1-phenyl-1H-pyrazole-4-carboxylate, methyl 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate, Methyl 5-(4-oxoquinazolin-3(4H)-yl)-1-phenyl-1H-pyrazole-4-carboxylate, methyl 5-(4-oxo-3,4-dihydroquinazolin-3-yl)-1-phenyl-1H-pyrazole-4-carboxylate
| Molecular Formula | C19H14N4O3 |
| Molecular Weight | 346.1066 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 76.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.1066 Da |
| Heavy Atoms | 26 |
| Complexity | 575.0 |
| SMILES | COC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N3C=NC4=CC=CC=C4C3=O |
| InChIKey | GTTFCVNGGANCRZ-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-3(4H)-quinazolinyl)-1-phenyl-, methyl ester. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-3(4H)-quinazolinyl)-1-phenyl-, methyl ester. Following Lipinski's Rule of Five, 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-3(4H)-quinazolinyl)-1-phenyl-, methyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-3(4H)-quinazolinyl)-1-phenyl-, methyl ester is 131073-57-9.
The molecular formula of 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-3(4H)-quinazolinyl)-1-phenyl-, methyl ester is C19H14N4O3.
The molecular weight of 1H-Pyrazole-4-carboxylic acid, 5-(4-oxo-3(4H)-quinazolinyl)-1-phenyl-, methyl ester is 346.1066 g/mol.
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