![2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid structure](/static/products/100/1001754-77-3.png)
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 253.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C7H6F3N3O4 |
|---|---|
| Molecular Weight | 253.03 g/mol |
| LogP | 1.20312 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.03104 |
| Heavy Atoms | 17 |
| Complexity | 479.44385 |
Chemical Identifiers
| CAS Number | 1001754-77-3 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)O)C(F)(F)F)[N+](=O)[O-] |
Product Overview
2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid (CAS 1001754-77-3), with molecular formula C7H6F3N3O4 and molecular weight 253.03 g/mol. IUPAC: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic acid.
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 1.20312 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 98.26 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 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-[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 253.03 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid?
Yes, KEHONG BIO 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.