![1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylic acid structure](/static/products/100/1004643-30-4.webp)
1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
TL;DR: 1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylic acid (CAS 1004643-30-4) is a chemical compound with molecular formula C11H9N3O5 and molecular weight 263.05423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxylic acid
Also Known As: 1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylic acid, 1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxylic Acid, 1-((2-Nitrophenoxy)methyl)-1H-pyrazole-3-carboxylic acid, 1-(2-nitrophenoxy)methyl-1H-pyrazole-3-carboxylic acid, 1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylicacid
Technical Specifications
| Molecular Formula | C11H9N3O5 |
| Molecular Weight | 263.05423 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.05423 Da |
| Heavy Atoms | 19 |
| Complexity | 346.0 |
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])OCN2C=CC(=N2)C(=O)O |
| InChIKey | OUWIJNSUNBJBBH-UHFFFAOYSA-N |
Chemical Property Profile of 1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
Property Insights of 1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylic acid. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylic acid has 1 hydrogen bond donor(s) and 6 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-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylic acid?
The CAS number of 1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylic acid is 1004643-30-4.
What is the molecular formula of 1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylic acid?
The molecular formula of 1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylic acid is C11H9N3O5.
What is the molecular weight of 1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylic acid?
The molecular weight of 1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylic acid is 263.05423 g/mol.
Where can I buy 1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylic acid?
You can request a quote for 1-[(2-nitrophenoxy)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-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.