5-(4-Butylphenyl)-1H-pyrazole-3-carboxylic acid
TL;DR: 5-(4-Butylphenyl)-1H-pyrazole-3-carboxylic acid (CAS 1038914-12-3) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12119 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-butylphenyl)-1H-pyrazole-5-carboxylic acid
Also Known As: 5-(4-Butylphenyl)-1H-pyrazole-3-carboxylic acid, 3-(4-butylphenyl)-1H-pyrazole-5-carboxylic acid, 5-(4-butylphenyl)-2H-pyrazole-3-carboxylic Acid, 5-(4-Butyl-phenyl)-1H-pyrazole-3-carboxylic acid
Technical Specifications
| Molecular Formula | C14H16N2O2 |
| Molecular Weight | 244.12119 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.12119 Da |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
| SMILES | CCCCC1=CC=C(C=C1)C2=NNC(=C2)C(=O)O |
| InChIKey | HYPIHQITNUATKX-UHFFFAOYSA-N |
Chemical Property Profile of 5-(4-Butylphenyl)-1H-pyrazole-3-carboxylic acid
Property Insights of 5-(4-Butylphenyl)-1H-pyrazole-3-carboxylic acid
The XLogP value of 3.6 indicates that 5-(4-Butylphenyl)-1H-pyrazole-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Butylphenyl)-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-(4-Butylphenyl)-1H-pyrazole-3-carboxylic 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 5-(4-Butylphenyl)-1H-pyrazole-3-carboxylic acid?
The CAS number of 5-(4-Butylphenyl)-1H-pyrazole-3-carboxylic acid is 1038914-12-3.
What is the molecular formula of 5-(4-Butylphenyl)-1H-pyrazole-3-carboxylic acid?
The molecular formula of 5-(4-Butylphenyl)-1H-pyrazole-3-carboxylic acid is C14H16N2O2.
What is the molecular weight of 5-(4-Butylphenyl)-1H-pyrazole-3-carboxylic acid?
The molecular weight of 5-(4-Butylphenyl)-1H-pyrazole-3-carboxylic acid is 244.12119 g/mol.
Where can I buy 5-(4-Butylphenyl)-1H-pyrazole-3-carboxylic acid?
You can request a quote for 5-(4-Butylphenyl)-1H-pyrazole-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(4-Butylphenyl)-1H-pyrazole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 5-(4-Butylphenyl)-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.