1-(1-adamantyl)-4-bromo-N,N-diphenylpyrazole-3-carboxamide
TL;DR: 1-(1-adamantyl)-4-bromo-N,N-diphenylpyrazole-3-carboxamide (CAS 489407-76-3) is a chemical compound with molecular formula C26H26BrN3O and molecular weight 475.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-4-bromo-N,N-diphenylpyrazole-3-carboxamide
Also Known As: 1-(1-adamantyl)-4-bromo-N,N-diphenylpyrazole-3-carboxamide, (1-adamantanyl-4-bromopyrazol-3-yl)-N,N-dibenzamide, 1-(1-adamantyl)-4-bromo-N,N-diphenyl-1H-pyrazole-3-carboxamide, 1-Adamantan-1-yl-4-bromo-1H-pyrazole-3-carboxylic acid diphenylamide, 1-(1-ADAMANTYL)-4-BROMO-N~3~,N~3~-DIPHENYL-1H-PYRAZOLE-3-CARBOXAMIDE
| Molecular Formula | C26H26BrN3O |
|---|---|
| Molecular Weight | 475.13 g/mol |
| LogP | 6.5494 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 475.12592 |
| Heavy Atoms | 31 |
| Complexity | 1033.4113 |
Chemical Identifiers
| CAS Number | 489407-76-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)N(C5=CC=CC=C5)C6=CC=CC=C6)Br |
Product Overview
1-(1-adamantyl)-4-bromo-N,N-diphenylpyrazole-3-carboxamide (CAS 489407-76-3), with molecular formula C26H26BrN3O and molecular weight 475.13 g/mol. IUPAC: 1-(1-adamantyl)-4-bromo-N,N-diphenylpyrazole-3-carboxamide.
Chemical Property Profile of 1-(1-adamantyl)-4-bromo-N,N-diphenylpyrazole-3-carboxamide
Property Insights of 1-(1-adamantyl)-4-bromo-N,N-diphenylpyrazole-3-carboxamide
The XLogP value of 6.5494 indicates that 1-(1-adamantyl)-4-bromo-N,N-diphenylpyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, 1-(1-adamantyl)-4-bromo-N,N-diphenylpyrazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-adamantyl)-4-bromo-N,N-diphenylpyrazole-3-carboxamide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(1-adamantyl)-4-bromo-N,N-diphenylpyrazole-3-carboxamide?
The CAS number of 1-(1-adamantyl)-4-bromo-N,N-diphenylpyrazole-3-carboxamide is 489407-76-3.
What is the molecular formula of 1-(1-adamantyl)-4-bromo-N,N-diphenylpyrazole-3-carboxamide?
The molecular formula of 1-(1-adamantyl)-4-bromo-N,N-diphenylpyrazole-3-carboxamide is C26H26BrN3O.
What is the molecular weight of 1-(1-adamantyl)-4-bromo-N,N-diphenylpyrazole-3-carboxamide?
The molecular weight of 1-(1-adamantyl)-4-bromo-N,N-diphenylpyrazole-3-carboxamide is 475.13 g/mol.
Where can I buy 1-(1-adamantyl)-4-bromo-N,N-diphenylpyrazole-3-carboxamide?
You can request a quote for 1-(1-adamantyl)-4-bromo-N,N-diphenylpyrazole-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)-4-bromo-N,N-diphenylpyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-adamantyl)-4-bromo-N,N-diphenylpyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.