![2-[(4-Fluorophenyl)methyl]-5-nitropyrazole-3-carboxylic acid structure](/static/products/491/491831-80-2.png)
2-[(4-Fluorophenyl)methyl]-5-nitropyrazole-3-carboxylic acid
TL;DR: 2-[(4-Fluorophenyl)methyl]-5-nitropyrazole-3-carboxylic acid (CAS 491831-80-2) is a chemical compound with molecular formula C11H8FN3O4 and molecular weight 265.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-fluorophenyl)methyl]-3-nitropyrazole-5-carboxylic acid
Also Known As: 1-(4-fluorobenzyl)-3-nitro-1H-pyrazole-5-carboxylicacid, 2-[(4-fluorophenyl)methyl]-5-nitropyrazole-3-carboxylic acid, 1-(4-fluorobenzyl)-3-nitro-1H-pyrazole-5-carboxylic acid, 1-[(4-fluorophenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylic acid
| Molecular Formula | C11H8FN3O4 |
|---|---|
| Molecular Weight | 265.05 g/mol |
| LogP | 1.6769 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.0499 |
| Heavy Atoms | 19 |
| Complexity | 635.8899 |
Chemical Identifiers
| CAS Number | 491831-80-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C(=CC(=N2)[N+](=O)[O-])C(=O)O)F |
Product Overview
2-[(4-Fluorophenyl)methyl]-5-nitropyrazole-3-carboxylic acid (CAS 491831-80-2), with molecular formula C11H8FN3O4 and molecular weight 265.05 g/mol. IUPAC: 1-[(4-fluorophenyl)methyl]-3-nitropyrazole-5-carboxylic acid.
Chemical Property Profile of 2-[(4-Fluorophenyl)methyl]-5-nitropyrazole-3-carboxylic acid
Property Insights of 2-[(4-Fluorophenyl)methyl]-5-nitropyrazole-3-carboxylic acid
The XLogP value of 1.6769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Fluorophenyl)methyl]-5-nitropyrazole-3-carboxylic acid. The TPSA of 98.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Fluorophenyl)methyl]-5-nitropyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 2-[(4-Fluorophenyl)methyl]-5-nitropyrazole-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
Frequently Asked Questions
What is the CAS number of 2-[(4-Fluorophenyl)methyl]-5-nitropyrazole-3-carboxylic acid?
The CAS number of 2-[(4-Fluorophenyl)methyl]-5-nitropyrazole-3-carboxylic acid is 491831-80-2.
What is the molecular formula of 2-[(4-Fluorophenyl)methyl]-5-nitropyrazole-3-carboxylic acid?
The molecular formula of 2-[(4-Fluorophenyl)methyl]-5-nitropyrazole-3-carboxylic acid is C11H8FN3O4.
What is the molecular weight of 2-[(4-Fluorophenyl)methyl]-5-nitropyrazole-3-carboxylic acid?
The molecular weight of 2-[(4-Fluorophenyl)methyl]-5-nitropyrazole-3-carboxylic acid is 265.05 g/mol.
Where can I buy 2-[(4-Fluorophenyl)methyl]-5-nitropyrazole-3-carboxylic acid?
You can request a quote for 2-[(4-Fluorophenyl)methyl]-5-nitropyrazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Fluorophenyl)methyl]-5-nitropyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Fluorophenyl)methyl]-5-nitropyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.