![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 414.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C21H26N4O5 |
|---|---|
| Molecular Weight | 414.19 g/mol |
| LogP | 2.87174 |
| Topological Polar Surface Area | 107.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.1903 |
| Heavy Atoms | 30 |
| Complexity | 960.3015 |
Chemical Identifiers
| CAS Number | 1005566-74-4 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2CN3C(=C(C(=N3)C)[N+](=O)[O-])C |
Product Overview
Ethyl 1-[2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl]-4-piperidinecarboxylate (CAS 1005566-74-4), with molecular formula C21H26N4O5 and molecular weight 414.19 g/mol. IUPAC: ethyl 1-[2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxylate.
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 2.87174 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 107.57 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
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 414.19 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-[2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl]-4-piperidinecarboxylate?
Yes, KEHONG BIO 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.