N-(2-adamantyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide
TL;DR: N-(2-adamantyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide (CAS 515847-76-4) is a chemical compound with molecular formula C16H22N4O3 and molecular weight 318.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-adamantyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide
Also Known As: N-(2-adamantyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide, N-(2-adamantyl)-4-nitro-1,5-dimethyl-1H-pyrazole-3-carboxamide, N-(2-adamantyl)-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide, N-(2-ADAMANTYL)-1,5-DIMETHYL-4-NITRO-1H-PYRAZOLE-3-CARBOXAMIDE, 1,5-dimethyl-4-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)-1H-pyrazole-3-carboxamide
| Molecular Formula | C16H22N4O3 |
|---|---|
| Molecular Weight | 318.17 g/mol |
| LogP | 2.19122 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.1692 |
| Heavy Atoms | 23 |
| Complexity | 653.11035 |
Chemical Identifiers
| CAS Number | 515847-76-4 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C(=O)NC2C3CC4CC(C3)CC2C4)[N+](=O)[O-] |
Product Overview
N-(2-adamantyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide (CAS 515847-76-4), with molecular formula C16H22N4O3 and molecular weight 318.17 g/mol. IUPAC: N-(2-adamantyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide.
Chemical Property Profile of N-(2-adamantyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide
Property Insights of N-(2-adamantyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide
The XLogP value of 2.19122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-adamantyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-adamantyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-(2-adamantyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide 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-(2-adamantyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide?
The CAS number of N-(2-adamantyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide is 515847-76-4.
What is the molecular formula of N-(2-adamantyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide?
The molecular formula of N-(2-adamantyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide is C16H22N4O3.
What is the molecular weight of N-(2-adamantyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide?
The molecular weight of N-(2-adamantyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide is 318.17 g/mol.
Where can I buy N-(2-adamantyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide?
You can request a quote for N-(2-adamantyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-adamantyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-adamantyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.