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1-[(3-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
TL;DR: 1-[(3-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid (CAS 1004193-19-4) is a chemical compound with molecular formula C11H9ClN2O3 and molecular weight 252.03017 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3-chlorophenoxy)methyl]pyrazole-3-carboxylic acid
Also Known As: 1-[(3-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid, 1-((3-Chlorophenoxy)methyl)-1H-pyrazole-3-carboxylic acid, 1-[(3-chlorophenoxy)methyl]pyrazole-3-carboxylic Acid, 1-(3-chlorophenoxymethyl)-1H-pyrazole-3-carboxylic acid, 1-(3-Chlorophenoxy)methyl-1H-pyrazole-3-carboxylic Acid
Technical Specifications
| Molecular Formula | C11H9ClN2O3 |
| Molecular Weight | 252.03017 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.03017 Da |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
| SMILES | C1=CC(=CC(=C1)Cl)OCN2C=CC(=N2)C(=O)O |
| InChIKey | WUGZGUATQQXXSP-UHFFFAOYSA-N |
Chemical Property Profile of 1-[(3-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
Property Insights of 1-[(3-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(3-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(3-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-[(3-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic 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 1-[(3-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid?
The CAS number of 1-[(3-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid is 1004193-19-4.
What is the molecular formula of 1-[(3-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid?
The molecular formula of 1-[(3-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid is C11H9ClN2O3.
What is the molecular weight of 1-[(3-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid?
The molecular weight of 1-[(3-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid is 252.03017 g/mol.
Where can I buy 1-[(3-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid?
You can request a quote for 1-[(3-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[(3-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-[(3-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.