1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitropyrazole-3-carboxamide
TL;DR: 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitropyrazole-3-carboxamide (CAS 515149-24-3) is a chemical compound with molecular formula C22H24N4O5 and molecular weight 424.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitropyrazole-3-carboxamide
Also Known As: 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitropyrazole-3-carboxamide, 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1H-pyrazole-3-carboxamide, N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazole-3-carboxamide
| Molecular Formula | C22H24N4O5 |
|---|---|
| Molecular Weight | 424.17 g/mol |
| LogP | 3.3753 |
| Topological Polar Surface Area | 108.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.17468 |
| Heavy Atoms | 31 |
| Complexity | 1042.5645 |
Chemical Identifiers
| CAS Number | 515149-24-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NCC5=CC6=C(C=C5)OCO6)[N+](=O)[O-] |
Product Overview
1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitropyrazole-3-carboxamide (CAS 515149-24-3), with molecular formula C22H24N4O5 and molecular weight 424.17 g/mol. IUPAC: 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitropyrazole-3-carboxamide.
Chemical Property Profile of 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitropyrazole-3-carboxamide
Property Insights of 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitropyrazole-3-carboxamide
The XLogP value of 3.3753 indicates that 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitropyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitropyrazole-3-carboxamide. Following Lipinski's Rule of Five, 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitropyrazole-3-carboxamide has 1 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 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitropyrazole-3-carboxamide?
The CAS number of 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitropyrazole-3-carboxamide is 515149-24-3.
What is the molecular formula of 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitropyrazole-3-carboxamide?
The molecular formula of 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitropyrazole-3-carboxamide is C22H24N4O5.
What is the molecular weight of 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitropyrazole-3-carboxamide?
The molecular weight of 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitropyrazole-3-carboxamide is 424.17 g/mol.
Where can I buy 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitropyrazole-3-carboxamide?
You can request a quote for 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-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 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitropyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitropyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.