1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-4-nitropyrazole-3-carboxamide
TL;DR: 1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-4-nitropyrazole-3-carboxamide (CAS 515149-31-2) is a chemical compound with molecular formula C20H20BrFN4O3 and molecular weight 462.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-4-nitropyrazole-3-carboxamide
Also Known As: 1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-4-nitro-1H-pyrazole-3-carboxamide, 1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-4-nitropyrazole-3-carboxamide, N-(4-bromo-2-fluorophenyl)-4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazole-3-carboxamide
| Molecular Formula | C20H20BrFN4O3 |
|---|---|
| Molecular Weight | 462.07 g/mol |
| LogP | 4.8705 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.07028 |
| Heavy Atoms | 29 |
| Complexity | 985.8662 |
Chemical Identifiers
| CAS Number | 515149-31-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=C(C=C(C=C5)Br)F)[N+](=O)[O-] |
Product Overview
1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-4-nitropyrazole-3-carboxamide (CAS 515149-31-2), with molecular formula C20H20BrFN4O3 and molecular weight 462.07 g/mol. IUPAC: 1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-4-nitropyrazole-3-carboxamide.
Chemical Property Profile of 1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-4-nitropyrazole-3-carboxamide
Property Insights of 1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-4-nitropyrazole-3-carboxamide
The XLogP value of 4.8705 indicates that 1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-4-nitropyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-4-nitropyrazole-3-carboxamide. Following Lipinski's Rule of Five, 1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-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 1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-4-nitropyrazole-3-carboxamide?
The CAS number of 1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-4-nitropyrazole-3-carboxamide is 515149-31-2.
What is the molecular formula of 1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-4-nitropyrazole-3-carboxamide?
The molecular formula of 1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-4-nitropyrazole-3-carboxamide is C20H20BrFN4O3.
What is the molecular weight of 1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-4-nitropyrazole-3-carboxamide?
The molecular weight of 1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-4-nitropyrazole-3-carboxamide is 462.07 g/mol.
Where can I buy 1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-4-nitropyrazole-3-carboxamide?
You can request a quote for 1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-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-(4-bromo-2-fluorophenyl)-4-nitropyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-adamantyl)-N-(4-bromo-2-fluorophenyl)-4-nitropyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.