ethyl 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetate
TL;DR: ethyl 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetate (CAS 135387-64-3) is a chemical compound with molecular formula C8H11N3O4 and molecular weight 213.07495 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetate
Also Known As: ZERO/004931, ethyl 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetate, ethyl (3-methyl-4-nitro-1H-pyrazol-5-yl)acetate, ethyl (3-methyl-4-nitro-1{H}-pyrazol-5-yl)acetate, ethyl 2-(3-methyl-4-nitro-1H-pyrazol-5-yl)acetate
Technical Specifications
| Molecular Formula | C8H11N3O4 |
| Molecular Weight | 213.07495 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.07495 Da |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
| SMILES | CCOC(=O)CC1=NNC(=C1[N+](=O)[O-])C |
| InChIKey | OTJKAIGPVJZCPH-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetate
Property Insights of ethyl 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetate. Following Lipinski's Rule of Five, ethyl 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetate 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 ethyl 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetate?
The CAS number of ethyl 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetate is 135387-64-3.
What is the molecular formula of ethyl 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetate?
The molecular formula of ethyl 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetate is C8H11N3O4.
What is the molecular weight of ethyl 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetate?
The molecular weight of ethyl 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetate is 213.07495 g/mol.
Where can I buy ethyl 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetate?
You can request a quote for ethyl 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetate?
Yes, CoreyChem provides custom synthesis services for ethyl 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.