![1-(2-adamantyl)-4-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}piperazine structure](/static/products/1002/1002243-74-4.webp)
1-(2-adamantyl)-4-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}piperazine
TL;DR: 1-(2-adamantyl)-4-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}piperazine (CAS 1002243-74-4) is a chemical compound with molecular formula C21H30F2N4O and molecular weight 392.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-adamantyl)piperazin-1-yl]-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methanone
Also Known As: 1-(2-adamantyl)-4-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}piperazine, [1-(Difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl](4-tricyclo[3.3.1.13,7]dec-2-yl-1-piperazinyl)methanone, [4-(2-adamantyl)piperazin-1-yl]-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methanone, (1-(Difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl)(4-tricyclo(3.3.1.13,7)dec-2-yl-1-piperazinyl)methanone, [1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl][4-(tricyclo[3.3.1.1~3,7~]dec-2-yl)piperazin-1-yl]methanone
| Molecular Formula | C21H30F2N4O |
|---|---|
| Molecular Weight | 392.24 g/mol |
| LogP | 3.47754 |
| Topological Polar Surface Area | 41.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 392.23877 |
| Heavy Atoms | 28 |
| Complexity | 740.70026 |
Chemical Identifiers
| CAS Number | 1002243-74-4 |
|---|---|
| SMILES | CC1=C(C(=NN1C(F)F)C)C(=O)N2CCN(CC2)C3C4CC5CC(C4)CC3C5 |
Product Overview
1-(2-adamantyl)-4-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}piperazine (CAS 1002243-74-4), with molecular formula C21H30F2N4O and molecular weight 392.24 g/mol. IUPAC: [4-(2-adamantyl)piperazin-1-yl]-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methanone.
Chemical Property Profile of 1-(2-adamantyl)-4-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}piperazine
Property Insights of 1-(2-adamantyl)-4-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}piperazine
The XLogP value of 3.47754 indicates that 1-(2-adamantyl)-4-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.37 Ų, 1-(2-adamantyl)-4-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-adamantyl)-4-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}piperazine has 0 hydrogen bond donor(s) and 3 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-(2-adamantyl)-4-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}piperazine?
The CAS number of 1-(2-adamantyl)-4-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}piperazine is 1002243-74-4.
What is the molecular formula of 1-(2-adamantyl)-4-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}piperazine?
The molecular formula of 1-(2-adamantyl)-4-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}piperazine is C21H30F2N4O.
What is the molecular weight of 1-(2-adamantyl)-4-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}piperazine?
The molecular weight of 1-(2-adamantyl)-4-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}piperazine is 392.24 g/mol.
Where can I buy 1-(2-adamantyl)-4-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}piperazine?
You can request a quote for 1-(2-adamantyl)-4-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-adamantyl)-4-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-adamantyl)-4-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.