4-(4-Allyl-5-hydroxy-3-methyl-pyrazol-1-yl)-benzoic acid
TL;DR: 4-(4-Allyl-5-hydroxy-3-methyl-pyrazol-1-yl)-benzoic acid (CAS 1015844-62-8) is a chemical compound with molecular formula C14H14N2O3 and molecular weight 258.10043 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(5-methyl-3-oxo-4-prop-2-enyl-1H-pyrazol-2-yl)benzoic acid
Also Known As: 4-(4-Allyl-5-hydroxy-3-methyl-pyrazol-1-yl)-benzoic acid, ASN 16153440, 4-(4-Allyl-5-hydroxy-3-methyl-1H-pyrazol-1-yl)benzoic acid, 4-(5-methyl-3-oxo-4-prop-2-enyl-1H-pyrazol-2-yl)benzoic acid, Z-0384
Technical Specifications
| Molecular Formula | C14H14N2O3 |
| Molecular Weight | 258.10043 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.10043 Da |
| Heavy Atoms | 19 |
| Complexity | 434.0 |
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)O)CC=C |
| InChIKey | YEOZCSMVWVLGBN-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Allyl-5-hydroxy-3-methyl-pyrazol-1-yl)-benzoic acid
Property Insights of 4-(4-Allyl-5-hydroxy-3-methyl-pyrazol-1-yl)-benzoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Allyl-5-hydroxy-3-methyl-pyrazol-1-yl)-benzoic acid. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Allyl-5-hydroxy-3-methyl-pyrazol-1-yl)-benzoic acid. Following Lipinski's Rule of Five, 4-(4-Allyl-5-hydroxy-3-methyl-pyrazol-1-yl)-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 4-(4-Allyl-5-hydroxy-3-methyl-pyrazol-1-yl)-benzoic acid?
The CAS number of 4-(4-Allyl-5-hydroxy-3-methyl-pyrazol-1-yl)-benzoic acid is 1015844-62-8.
What is the molecular formula of 4-(4-Allyl-5-hydroxy-3-methyl-pyrazol-1-yl)-benzoic acid?
The molecular formula of 4-(4-Allyl-5-hydroxy-3-methyl-pyrazol-1-yl)-benzoic acid is C14H14N2O3.
What is the molecular weight of 4-(4-Allyl-5-hydroxy-3-methyl-pyrazol-1-yl)-benzoic acid?
The molecular weight of 4-(4-Allyl-5-hydroxy-3-methyl-pyrazol-1-yl)-benzoic acid is 258.10043 g/mol.
Where can I buy 4-(4-Allyl-5-hydroxy-3-methyl-pyrazol-1-yl)-benzoic acid?
You can request a quote for 4-(4-Allyl-5-hydroxy-3-methyl-pyrazol-1-yl)-benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Allyl-5-hydroxy-3-methyl-pyrazol-1-yl)-benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(4-Allyl-5-hydroxy-3-methyl-pyrazol-1-yl)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.