TL;DR: 1H-Pyrazole-4-carboxylic acid, 5-(aminocarbonyl)-1-(4-methylphenyl)- (CAS 110750-74-8) is a chemical compound with molecular formula C12H11N3O3 and molecular weight 245.08005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-carbamoyl-1-(4-methylphenyl)pyrazole-4-carboxylic acid
Also Known As: 1H-Pyrazole-4-carboxylic acid, 5-(aminocarbonyl)-1-(4-methylphenyl)-, 5-(Aminocarbonyl)-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid, 4-Carboxy-1-(4-methylphenyl)-5-pyrazolecarboxamide, 5-carbamoyl-1-(4-methylphenyl)pyrazole-4-carboxylic acid, 5-carbamoyl-1-(4-methylphenyl)-1h-pyrazole-4-carboxylic acid
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H11N3O3 |
| Molecular Weight | 245.08005 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 98.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.08005 Da |
| Heavy Atoms | 18 |
| Complexity | 339.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)C(=O)N |
| InChIKey | WUXWGHOQHLIISU-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-4-carboxylic acid, 5-(aminocarbonyl)-1-(4-methylphenyl)-. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-4-carboxylic acid, 5-(aminocarbonyl)-1-(4-methylphenyl)-. Following Lipinski's Rule of Five, 1H-Pyrazole-4-carboxylic acid, 5-(aminocarbonyl)-1-(4-methylphenyl)- has 2 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-4-carboxylic acid, 5-(aminocarbonyl)-1-(4-methylphenyl)- is 110750-74-8.
The molecular formula of 1H-Pyrazole-4-carboxylic acid, 5-(aminocarbonyl)-1-(4-methylphenyl)- is C12H11N3O3.
The molecular weight of 1H-Pyrazole-4-carboxylic acid, 5-(aminocarbonyl)-1-(4-methylphenyl)- is 245.08005 g/mol.
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