4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzoic acid
TL;DR: 4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzoic acid (CAS 163105-89-3) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.0848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methoxy-3-(pyrazol-1-ylmethyl)benzoic acid
Also Known As: 4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzoic acid, 4-Methoxy-3-pyrazol-1-ylmethyl-benzoic acid, 4-methoxy-3-(pyrazol-1-ylmethyl)benzoic acid, 2-Methoxy-5-pyridineboronic acid, BAS 06502656
Technical Specifications
| Molecular Formula | C12H12N2O3 |
| Molecular Weight | 232.0848 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.0848 Da |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
| SMILES | COC1=C(C=C(C=C1)C(=O)O)CN2C=CC=N2 |
| InChIKey | DCVDNCLNIKXKHF-UHFFFAOYSA-N |
Chemical Property Profile of 4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzoic acid
Property Insights of 4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzoic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzoic acid. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzoic acid. Following Lipinski's Rule of Five, 4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzoic acid has 1 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 4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzoic acid?
The CAS number of 4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzoic acid is 163105-89-3.
What is the molecular formula of 4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzoic acid?
The molecular formula of 4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzoic acid is C12H12N2O3.
What is the molecular weight of 4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzoic acid?
The molecular weight of 4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzoic acid is 232.0848 g/mol.
Where can I buy 4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzoic acid?
You can request a quote for 4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.