![3-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoic acid structure](/static/products/100/1002032-75-8.webp)
3-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoic acid
TL;DR: 3-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoic acid (CAS 1002032-75-8) 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.
3-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
Also Known As: 3-(1-methyl-1H-pyrazole-5-amido)benzoic acid, 3-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoic acid, 3-[(2-Methyl-2H-pyrazole-3-carbonyl)-amino]-benzoic acid, 3-[(2-methylpyrazole-3-carbonyl)amino]benzoic Acid, 3-[(1-methylpyrazol-5-yl)carbonylamino]benzoic acid
Technical Specifications
| Molecular Formula | C12H11N3O3 |
| Molecular Weight | 245.08005 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.08005 Da |
| Heavy Atoms | 18 |
| Complexity | 335.0 |
| SMILES | CN1C(=CC=N1)C(=O)NC2=CC=CC(=C2)C(=O)O |
| InChIKey | MHTFCEMVYRGTMO-UHFFFAOYSA-N |
Chemical Property Profile of 3-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoic acid
Property Insights of 3-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoic acid. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoic acid has 2 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 3-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoic acid?
The CAS number of 3-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoic acid is 1002032-75-8.
What is the molecular formula of 3-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoic acid?
The molecular formula of 3-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoic acid is C12H11N3O3.
What is the molecular weight of 3-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoic acid?
The molecular weight of 3-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoic acid is 245.08005 g/mol.
Where can I buy 3-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoic acid?
You can request a quote for 3-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.