5-(4-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
TL;DR: 5-(4-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid (CAS 158941-09-4) is a chemical compound with molecular formula C17H13ClN2O2 and molecular weight 312.06656 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole-3-carboxylic acid
Also Known As: KSC-6-201, 4N-577S, 5-(4-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole-3-carboxylic Acid, 5-(4-chlorophenyl)-1-(p-tolyl)pyrazole-3-carboxylic acid
Technical Specifications
| Molecular Formula | C17H13ClN2O2 |
| Molecular Weight | 312.06656 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.06656 Da |
| Heavy Atoms | 22 |
| Complexity | 390.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)Cl |
| InChIKey | CUHBVUBREUIUDP-UHFFFAOYSA-N |
Chemical Property Profile of 5-(4-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Property Insights of 5-(4-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
The XLogP value of 4.4 indicates that 5-(4-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic 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, 5-(4-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic 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 5-(4-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid?
The CAS number of 5-(4-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid is 158941-09-4.
What is the molecular formula of 5-(4-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid?
The molecular formula of 5-(4-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid is C17H13ClN2O2.
What is the molecular weight of 5-(4-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid?
The molecular weight of 5-(4-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid is 312.06656 g/mol.
Where can I buy 5-(4-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid?
You can request a quote for 5-(4-chlorophenyl)-1-(4-methylphenyl)-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-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 5-(4-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.