ethyl 2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoate
TL;DR: ethyl 2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoate (CAS 1002243-73-3) is a chemical compound with molecular formula C9H13N3O4 and molecular weight 227.0906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-methyl-2-(4-nitropyrazol-1-yl)propanoate
Also Known As: ethyl 2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoate, ethyl 2-methyl-2-(4-nitropyrazol-1-yl)propanoate, 2-Methyl-2-(4-nitro-pyrazol-1-yl)-propionic acid ethyl ester, ethyl 2-methyl-2-(4-nitropyrazolyl)propanoate, ethyl2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoate
Technical Specifications
| Molecular Formula | C9H13N3O4 |
| Molecular Weight | 227.0906 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.0906 Da |
| Heavy Atoms | 16 |
| Complexity | 287.0 |
| SMILES | CCOC(=O)C(C)(C)N1C=C(C=N1)[N+](=O)[O-] |
| InChIKey | SRZCNFCBCVDIHX-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoate
Property Insights of ethyl 2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoate. Following Lipinski's Rule of Five, ethyl 2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoate has 0 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-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoate?
The CAS number of ethyl 2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoate is 1002243-73-3.
What is the molecular formula of ethyl 2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoate?
The molecular formula of ethyl 2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoate is C9H13N3O4.
What is the molecular weight of ethyl 2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoate?
The molecular weight of ethyl 2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoate is 227.0906 g/mol.
Where can I buy ethyl 2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoate?
You can request a quote for ethyl 2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoate?
Yes, CoreyChem provides custom synthesis services for ethyl 2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.