TL;DR: 5-((4-methoxyphenyl)carbamoyl)-1-methyl-1H-pyrazole-3-carboxylic acid (CAS 1005705-85-0) is a chemical compound with molecular formula C13H13N3O4 and molecular weight 275.0906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(4-methoxyphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
Also Known As: 5-[(4-methoxyphenyl)carbamoyl]-1-methyl-pyrazole-3-carboxylic Acid, 5-[(4-methoxyphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid, 5-((4-methoxyphenyl)carbamoyl)-1-methyl-1H-pyrazole-3-carboxylic acid, 5-[(4-methoxyphenyl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylic acid, 5-[(4-METHOXYANILINO)CARBONYL]-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
| Molecular Formula | C13H13N3O4 |
| Molecular Weight | 275.0906 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.0906 Da |
| Heavy Atoms | 20 |
| Complexity | 369.0 |
| SMILES | CN1C(=CC(=N1)C(=O)O)C(=O)NC2=CC=C(C=C2)OC |
| InChIKey | AUHATOSVJSQICA-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((4-methoxyphenyl)carbamoyl)-1-methyl-1H-pyrazole-3-carboxylic acid. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((4-methoxyphenyl)carbamoyl)-1-methyl-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-((4-methoxyphenyl)carbamoyl)-1-methyl-1H-pyrazole-3-carboxylic acid has 2 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 5-((4-methoxyphenyl)carbamoyl)-1-methyl-1H-pyrazole-3-carboxylic acid is 1005705-85-0.
The molecular formula of 5-((4-methoxyphenyl)carbamoyl)-1-methyl-1H-pyrazole-3-carboxylic acid is C13H13N3O4.
The molecular weight of 5-((4-methoxyphenyl)carbamoyl)-1-methyl-1H-pyrazole-3-carboxylic acid is 275.0906 g/mol.
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