3-(1H-pyrazol-4-yl)benzoic Acid
TL;DR: 3-(1H-pyrazol-4-yl)benzoic Acid (CAS 1002535-21-8) is a chemical compound with molecular formula C10H8N2O2 and molecular weight 188.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1H-pyrazol-4-yl)benzoic acid
Also Known As: 3-(1H-pyrazol-4-yl)benzoic Acid, null, 3-(1H-Pyrazol-4-yl)-benzoic acid, 3-pyrazol-4-ylbenzoic acid, Benzoic acid, 3-(1H-pyrazol-4-yl)-
Technical Specifications
| Molecular Formula | C10H8N2O2 |
| Molecular Weight | 188.05858 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.05858 Da |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=CNN=C2 |
| InChIKey | BXSUQWZHUHROLP-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1H-pyrazol-4-yl)benzoic Acid
Property Insights of 3-(1H-pyrazol-4-yl)benzoic Acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-pyrazol-4-yl)benzoic Acid. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-pyrazol-4-yl)benzoic Acid. Following Lipinski's Rule of Five, 3-(1H-pyrazol-4-yl)benzoic Acid has 2 hydrogen bond donor(s) and 3 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-(1H-pyrazol-4-yl)benzoic Acid?
The CAS number of 3-(1H-pyrazol-4-yl)benzoic Acid is 1002535-21-8.
What is the molecular formula of 3-(1H-pyrazol-4-yl)benzoic Acid?
The molecular formula of 3-(1H-pyrazol-4-yl)benzoic Acid is C10H8N2O2.
What is the molecular weight of 3-(1H-pyrazol-4-yl)benzoic Acid?
The molecular weight of 3-(1H-pyrazol-4-yl)benzoic Acid is 188.05858 g/mol.
Where can I buy 3-(1H-pyrazol-4-yl)benzoic Acid?
You can request a quote for 3-(1H-pyrazol-4-yl)benzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1H-pyrazol-4-yl)benzoic Acid?
Yes, CoreyChem provides custom synthesis services for 3-(1H-pyrazol-4-yl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.