![2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid structure](/static/products/100/1001754-77-3.webp)
2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid
TL;DR: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid (CAS 1001754-77-3) is a chemical compound with molecular formula C7H6F3N3O4 and molecular weight 253.03104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
Also Known As: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid, 2-[5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid, (5-Methyl-4-nitro-3-trifluoromethyl-pyrazol-1-yl)-acetic acid, [5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid, 2-(5-Methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
Technical Specifications
| Molecular Formula | C7H6F3N3O4 |
| Molecular Weight | 253.03104 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.03104 Da |
| Heavy Atoms | 17 |
| Complexity | 329.0 |
| SMILES | CC1=C(C(=NN1CC(=O)O)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | YUTXBJXNUVCBNP-UHFFFAOYSA-N |
Chemical Property Profile of 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid
Property Insights of 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid. Following Lipinski's Rule of Five, 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid?
The CAS number of 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid is 1001754-77-3.
What is the molecular formula of 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid?
The molecular formula of 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid is C7H6F3N3O4.
What is the molecular weight of 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid?
The molecular weight of 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid is 253.03104 g/mol.
Where can I buy 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid?
You can request a quote for 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid?
Yes, CoreyChem provides custom synthesis services for 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.