TL;DR: 4-(2-((3-Methyl-1H-pyrazol-5-YL)carbonyl)carbohydrazonoyl)benzoic acid (CAS 1284268-34-3) is a chemical compound with molecular formula C13H12N4O3 and molecular weight 272.09094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]benzoic acid
Also Known As: (E)-4-((2-(3-methyl-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoic acid, 4-[[(5-methyl1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]benzoic Acid, 4-{(1E)-2-[(3-methylpyrazol-5-yl)carbonylamino]-2-azavinyl}benzoic acid, 4-(2-((3-METHYL-1H-PYRAZOL-5-YL)CARBONYL)CARBOHYDRAZONOYL)BENZOIC ACID, 4-[(E)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]benzoic acid
| Molecular Formula | C13H12N4O3 |
| Molecular Weight | 272.09094 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.09094 Da |
| Heavy Atoms | 20 |
| Complexity | 391.0 |
| SMILES | CC1=CC(=NN1)C(=O)N/N=C/C2=CC=C(C=C2)C(=O)O |
| InChIKey | HZWNOJSOAKKNMU-VGOFMYFVSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-((3-Methyl-1H-pyrazol-5-YL)carbonyl)carbohydrazonoyl)benzoic acid. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-((3-Methyl-1H-pyrazol-5-YL)carbonyl)carbohydrazonoyl)benzoic acid. Following Lipinski's Rule of Five, 4-(2-((3-Methyl-1H-pyrazol-5-YL)carbonyl)carbohydrazonoyl)benzoic acid has 3 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 4-(2-((3-Methyl-1H-pyrazol-5-YL)carbonyl)carbohydrazonoyl)benzoic acid is 1284268-34-3.
The molecular formula of 4-(2-((3-Methyl-1H-pyrazol-5-YL)carbonyl)carbohydrazonoyl)benzoic acid is C13H12N4O3.
The molecular weight of 4-(2-((3-Methyl-1H-pyrazol-5-YL)carbonyl)carbohydrazonoyl)benzoic acid is 272.09094 g/mol.
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