![3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid structure](/static/products/1613/1613051-33-4.webp)
3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid
TL;DR: 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid (CAS 1613051-33-4) is a chemical compound with molecular formula C13H10ClFN2O2 and molecular weight 280.04147 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]prop-2-enoic acid
Also Known As: 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid, 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]prop-2-enoic Acid, 3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]prop-2-enoic acid, (2e)-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1h-pyrazol-4-yl]prop-2-enoic acid
Technical Specifications
| Molecular Formula | C13H10ClFN2O2 |
| Molecular Weight | 280.04147 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.04147 Da |
| Heavy Atoms | 19 |
| Complexity | 359.0 |
| SMILES | CC1=NN(C(=C1C=CC(=O)O)Cl)C2=CC=C(C=C2)F |
| InChIKey | KUPCSJDAVPGCQE-UHFFFAOYSA-N |
Chemical Property Profile of 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid
Property Insights of 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid
The XLogP value of 3.3 indicates that 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylic 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, 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylic 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 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid?
The CAS number of 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid is 1613051-33-4.
What is the molecular formula of 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid?
The molecular formula of 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid is C13H10ClFN2O2.
What is the molecular weight of 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid?
The molecular weight of 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid is 280.04147 g/mol.
Where can I buy 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid?
You can request a quote for 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid?
Yes, CoreyChem provides custom synthesis services for 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.