3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid
TL;DR: 3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid (CAS 1004644-54-5) is a chemical compound with molecular formula C7H9N3O4 and molecular weight 199.05931 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5-methyl-4-nitropyrazol-1-yl)propanoic acid
Also Known As: 3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid, 3-(5-methyl-4-nitropyrazol-1-yl)propanoic acid, 3-(5-methyl-4-nitro-pyrazol-1-yl)propanoic Acid, 3-(5-Methyl-4-nitro-pyrazol-1-yl)-propionic acid, 3-(5-methyl-4-nitropyrazolyl)propanoic acid
Technical Specifications
| Molecular Formula | C7H9N3O4 |
| Molecular Weight | 199.05931 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.05931 Da |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
| SMILES | CC1=C(C=NN1CCC(=O)O)[N+](=O)[O-] |
| InChIKey | CWXDCDBVUHQQRI-UHFFFAOYSA-N |
Chemical Property Profile of 3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid
Property Insights of 3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid
The XLogP value of -0.1 indicates that 3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(5-methyl-4-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-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid?
The CAS number of 3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid is 1004644-54-5.
What is the molecular formula of 3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid?
The molecular formula of 3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid is C7H9N3O4.
What is the molecular weight of 3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid?
The molecular weight of 3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid is 199.05931 g/mol.
Where can I buy 3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid?
You can request a quote for 3-(5-methyl-4-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-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.