1-Isobutyl-3,4-diphenylpyrazole-5-acetic acid
TL;DR: 1-Isobutyl-3,4-diphenylpyrazole-5-acetic acid (CAS 50270-32-1) is a chemical compound with molecular formula C21H22N2O2 and molecular weight 334.16812 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(2-methylpropyl)-4,5-diphenylpyrazol-3-yl]acetic acid
Also Known As: Bufezolac, Bufezolaco, Bufezolacum, Bufezolac [INN], Bufezolacum [INN-Latin]
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H22N2O2 |
| Molecular Weight | 334.16812 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.16812 Da |
| Heavy Atoms | 25 |
| Complexity | 428.0 |
| SMILES | CC(C)CN1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)O |
| InChIKey | JBJASTVVFKIZBG-UHFFFAOYSA-N |
Chemical Property Profile of 1-Isobutyl-3,4-diphenylpyrazole-5-acetic acid
Property Insights of 1-Isobutyl-3,4-diphenylpyrazole-5-acetic acid
The XLogP value of 4.3 indicates that 1-Isobutyl-3,4-diphenylpyrazole-5-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 1-Isobutyl-3,4-diphenylpyrazole-5-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isobutyl-3,4-diphenylpyrazole-5-acetic acid has 1 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 1-Isobutyl-3,4-diphenylpyrazole-5-acetic acid?
The CAS number of 1-Isobutyl-3,4-diphenylpyrazole-5-acetic acid is 50270-32-1.
What is the molecular formula of 1-Isobutyl-3,4-diphenylpyrazole-5-acetic acid?
The molecular formula of 1-Isobutyl-3,4-diphenylpyrazole-5-acetic acid is C21H22N2O2.
What is the molecular weight of 1-Isobutyl-3,4-diphenylpyrazole-5-acetic acid?
The molecular weight of 1-Isobutyl-3,4-diphenylpyrazole-5-acetic acid is 334.16812 g/mol.
Where can I buy 1-Isobutyl-3,4-diphenylpyrazole-5-acetic acid?
You can request a quote for 1-Isobutyl-3,4-diphenylpyrazole-5-acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Isobutyl-3,4-diphenylpyrazole-5-acetic acid?
Yes, CoreyChem provides custom synthesis services for 1-Isobutyl-3,4-diphenylpyrazole-5-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.