N-(1-adamantyl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide
TL;DR: N-(1-adamantyl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide (CAS 515848-39-2) is a chemical compound with molecular formula C15H20BrN3O and molecular weight 337.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantyl)-4-bromo-1-methylpyrazole-5-carboxamide
Also Known As: N-(1-adamantyl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide, N-(1-adamantyl)-4-bromo-2-methylpyrazole-3-carboxamide, N-adamantanyl(4-bromo-1-methylpyrazol-5-yl)carboxamide, 4-bromo-1-methyl-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazole-5-carboxamide
| Molecular Formula | C15H20BrN3O |
|---|---|
| Molecular Weight | 337.08 g/mol |
| LogP | 2.8812 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.07898 |
| Heavy Atoms | 20 |
| Complexity | 510.6807 |
Chemical Identifiers
| CAS Number | 515848-39-2 |
|---|---|
| SMILES | CN1C(=C(C=N1)Br)C(=O)NC23CC4CC(C2)CC(C4)C3 |
Product Overview
N-(1-adamantyl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide (CAS 515848-39-2), with molecular formula C15H20BrN3O and molecular weight 337.08 g/mol. IUPAC: N-(1-adamantyl)-4-bromo-1-methylpyrazole-5-carboxamide.
Chemical Property Profile of N-(1-adamantyl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide
Property Insights of N-(1-adamantyl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide
The XLogP value of 2.8812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-adamantyl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide. With a topological polar surface area (TPSA) of 46.92 Ų, N-(1-adamantyl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-adamantyl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide has 1 hydrogen bond donor(s) and 2 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)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide?
The CAS number of N-(1-adamantyl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide is 515848-39-2.
What is the molecular formula of N-(1-adamantyl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide?
The molecular formula of N-(1-adamantyl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide is C15H20BrN3O.
What is the molecular weight of N-(1-adamantyl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide?
The molecular weight of N-(1-adamantyl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide is 337.08 g/mol.
Where can I buy N-(1-adamantyl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide?
You can request a quote for N-(1-adamantyl)-4-bromo-1-methyl-1H-pyrazole-5-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)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-adamantyl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.