3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoic acid
TL;DR: 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoic acid (CAS 1004644-64-7) is a chemical compound with molecular formula C6H6ClN3O4 and molecular weight 219.00468 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chloro-3-nitropyrazol-1-yl)propanoic acid
Also Known As: 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoic acid, 3-(4-Chloro-3-nitro-pyrazol-1-yl)-propionic acid, 3-(4-chloro-3-nitropyrazol-1-yl)propanoic acid, 3-(4-chloro-3-nitropyrazolyl)propanoic acid, 3-(4-chloro-3-nitro-pyrazol-1-yl)propanoic Acid
Technical Specifications
| Molecular Formula | C6H6ClN3O4 |
| Molecular Weight | 219.00468 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.00468 Da |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
| SMILES | C1=C(C(=NN1CCC(=O)O)[N+](=O)[O-])Cl |
| InChIKey | FSXPGXHGUGQSMX-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoic acid
Property Insights of 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoic acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoic acid has 1 hydrogen bond donor(s) and 5 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-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoic acid?
The CAS number of 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoic acid is 1004644-64-7.
What is the molecular formula of 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoic acid?
The molecular formula of 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoic acid is C6H6ClN3O4.
What is the molecular weight of 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoic acid?
The molecular weight of 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoic acid is 219.00468 g/mol.
Where can I buy 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoic acid?
You can request a quote for 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.