![Ethyl 1-[2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl]-4-piperidinecarboxylate structure](/static/products/1005/1005566-74-4.webp)
Ethyl 1-[2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl]-4-piperidinecarboxylate
TL;DR: Ethyl 1-[2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl]-4-piperidinecarboxylate (CAS 1005566-74-4) is a chemical compound with molecular formula C21H26N4O5 and molecular weight 414.1903 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-[2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxylate
Also Known As: Ethyl 1-[2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl]-4-piperidinecarboxylate, ethyl 1-[2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxylate, ETHYL 1-{2-[(3,5-DIMETHYL-4-NITRO-1H-PYRAZOL-1-YL)METHYL]BENZOYL}-4-PIPERIDINECARBOXYLATE, Ethyl 1-[2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxylate, Ethyl 1-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}piperidine-4-carboxylate
Technical Specifications
| Molecular Formula | C21H26N4O5 |
| Molecular Weight | 414.1903 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.1903 Da |
| Heavy Atoms | 30 |
| Complexity | 631.0 |
| SMILES | CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2CN3C(=C(C(=N3)C)[N+](=O)[O-])C |
| InChIKey | LSUBQJOCCWMXSM-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 1-[2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl]-4-piperidinecarboxylate
Property Insights of Ethyl 1-[2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl]-4-piperidinecarboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-[2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl]-4-piperidinecarboxylate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-[2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl]-4-piperidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 1-[2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl]-4-piperidinecarboxylate has 0 hydrogen bond donor(s) and 6 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 1-[2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl]-4-piperidinecarboxylate?
The CAS number of Ethyl 1-[2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl]-4-piperidinecarboxylate is 1005566-74-4.
What is the molecular formula of Ethyl 1-[2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl]-4-piperidinecarboxylate?
The molecular formula of Ethyl 1-[2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl]-4-piperidinecarboxylate is C21H26N4O5.
What is the molecular weight of Ethyl 1-[2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl]-4-piperidinecarboxylate?
The molecular weight of Ethyl 1-[2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl]-4-piperidinecarboxylate is 414.1903 g/mol.
Where can I buy Ethyl 1-[2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl]-4-piperidinecarboxylate?
You can request a quote for Ethyl 1-[2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl]-4-piperidinecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 1-[2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl]-4-piperidinecarboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 1-[2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl]-4-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.