TL;DR: 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)- (CAS 131073-54-6) is a chemical compound with molecular formula C13H10N4O3 and molecular weight 270.0753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylic acid
Also Known As: 1-Methyl-5-(4-oxoquinazolin-3(4H)-yl)-1H-pyrazole-4-carboxylic acid, 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-, 1-Methyl-5-(4-oxo-3(4H)-quinazolinyl)-1H-pyrazole-4-carboxylic acid, 3-(AMINOMETHYL)CYCLOBUTANECARBOXYLIC ACID HCL, 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylic acid
| Molecular Formula | C13H10N4O3 |
| Molecular Weight | 270.0753 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 87.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.0753 Da |
| Heavy Atoms | 20 |
| Complexity | 453.0 |
| SMILES | CN1C(=C(C=N1)C(=O)O)N2C=NC3=CC=CC=C3C2=O |
| InChIKey | KORYAOHVFSREKV-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-. The TPSA of 87.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-. Following Lipinski's Rule of Five, 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)- has 1 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, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)- is 131073-54-6.
The molecular formula of 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)- is C13H10N4O3.
The molecular weight of 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)- is 270.0753 g/mol.
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