N-(1-adamantyl)-N,2,5-trimethyl-4-nitropyrazole-3-carboxamide
TL;DR: N-(1-adamantyl)-N,2,5-trimethyl-4-nitropyrazole-3-carboxamide (CAS 515148-99-9) is a chemical compound with molecular formula C17H24N4O3 and molecular weight 332.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantyl)-N,1,3-trimethyl-4-nitropyrazole-5-carboxamide
Also Known As: N-(1-adamantyl)-N,2,5-trimethyl-4-nitropyrazole-3-carboxamide, N-(1-adamantyl)-4-nitro-N,1,3-trimethyl-1H-pyrazole-5-carboxamide, N-(1-adamantyl)-N,2,5-trimethyl-4-nitro-pyrazole-3-carboxamide, N-(1-ADAMANTYL)-N,1,3-TRIMETHYL-4-NITRO-1H-PYRAZOLE-5-CARBOXAMIDE, N,1,3-trimethyl-4-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazole-5-carboxamide
| Molecular Formula | C17H24N4O3 |
|---|---|
| Molecular Weight | 332.18 g/mol |
| LogP | 2.67752 |
| Topological Polar Surface Area | 81.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.18484 |
| Heavy Atoms | 24 |
| Complexity | 688.3788 |
Chemical Identifiers
| CAS Number | 515148-99-9 |
|---|---|
| SMILES | CC1=NN(C(=C1[N+](=O)[O-])C(=O)N(C)C23CC4CC(C2)CC(C4)C3)C |
Product Overview
N-(1-adamantyl)-N,2,5-trimethyl-4-nitropyrazole-3-carboxamide (CAS 515148-99-9), with molecular formula C17H24N4O3 and molecular weight 332.18 g/mol. IUPAC: N-(1-adamantyl)-N,1,3-trimethyl-4-nitropyrazole-5-carboxamide.
Chemical Property Profile of N-(1-adamantyl)-N,2,5-trimethyl-4-nitropyrazole-3-carboxamide
Property Insights of N-(1-adamantyl)-N,2,5-trimethyl-4-nitropyrazole-3-carboxamide
The XLogP value of 2.67752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-adamantyl)-N,2,5-trimethyl-4-nitropyrazole-3-carboxamide. The TPSA of 81.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-adamantyl)-N,2,5-trimethyl-4-nitropyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-(1-adamantyl)-N,2,5-trimethyl-4-nitropyrazole-3-carboxamide has 0 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)-N,2,5-trimethyl-4-nitropyrazole-3-carboxamide?
The CAS number of N-(1-adamantyl)-N,2,5-trimethyl-4-nitropyrazole-3-carboxamide is 515148-99-9.
What is the molecular formula of N-(1-adamantyl)-N,2,5-trimethyl-4-nitropyrazole-3-carboxamide?
The molecular formula of N-(1-adamantyl)-N,2,5-trimethyl-4-nitropyrazole-3-carboxamide is C17H24N4O3.
What is the molecular weight of N-(1-adamantyl)-N,2,5-trimethyl-4-nitropyrazole-3-carboxamide?
The molecular weight of N-(1-adamantyl)-N,2,5-trimethyl-4-nitropyrazole-3-carboxamide is 332.18 g/mol.
Where can I buy N-(1-adamantyl)-N,2,5-trimethyl-4-nitropyrazole-3-carboxamide?
You can request a quote for N-(1-adamantyl)-N,2,5-trimethyl-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-(1-adamantyl)-N,2,5-trimethyl-4-nitropyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-adamantyl)-N,2,5-trimethyl-4-nitropyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.