N-(1-adamantyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
TL;DR: N-(1-adamantyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide (CAS 514217-59-5) is a chemical compound with molecular formula C16H21ClN4O3 and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
Also Known As: N-(1-adamantyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide, N-(1-adamantyl)-2-{4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide, N-(1-ADAMANTYL)-2-(4-CHLORO-5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)ACETAMIDE, 2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
| Molecular Formula | C16H21ClN4O3 |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 2.83812 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.13022 |
| Heavy Atoms | 24 |
| Complexity | 679.13666 |
Chemical Identifiers
| CAS Number | 514217-59-5 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-])Cl |
Product Overview
N-(1-adamantyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide (CAS 514217-59-5), with molecular formula C16H21ClN4O3 and molecular weight 352.13 g/mol. IUPAC: N-(1-adamantyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide.
Chemical Property Profile of N-(1-adamantyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
Property Insights of N-(1-adamantyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
The XLogP value of 2.83812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-adamantyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-adamantyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide. Following Lipinski's Rule of Five, N-(1-adamantyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide 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 N-(1-adamantyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide?
The CAS number of N-(1-adamantyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide is 514217-59-5.
What is the molecular formula of N-(1-adamantyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide?
The molecular formula of N-(1-adamantyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide is C16H21ClN4O3.
What is the molecular weight of N-(1-adamantyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide?
The molecular weight of N-(1-adamantyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide is 352.13 g/mol.
Where can I buy N-(1-adamantyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide?
You can request a quote for N-(1-adamantyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-adamantyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-adamantyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.