![2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid structure](/static/products/102/1025025-68-6.webp)
2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid
TL;DR: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid (CAS 1025025-68-6) is a chemical compound with molecular formula C13H13N3O3 and molecular weight 259.0957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid
Also Known As: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid, AF-399/43343836, 2-[N-(3,5-dimethylpyrazol-4-yl)carbamoyl]benzoic acid, F3089-0103, 2-((3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl)benzoic acid
Technical Specifications
| Molecular Formula | C13H13N3O3 |
| Molecular Weight | 259.0957 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 95.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.0957 Da |
| Heavy Atoms | 19 |
| Complexity | 361.0 |
| SMILES | CC1=C(C(=NN1)C)NC(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | QBRKHRLMCWMZTQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid
Property Insights of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid. Following Lipinski's Rule of Five, 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid?
The CAS number of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid is 1025025-68-6.
What is the molecular formula of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid?
The molecular formula of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid is C13H13N3O3.
What is the molecular weight of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid?
The molecular weight of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid is 259.0957 g/mol.
Where can I buy 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid?
You can request a quote for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.