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N-[(1,3,5-trimethylpyrazol-4-yl)methyl]adamantane-1-carboxamide
TL;DR: N-[(1,3,5-trimethylpyrazol-4-yl)methyl]adamantane-1-carboxamide (CAS 492456-67-4) is a chemical compound with molecular formula C18H27N3O and molecular weight 301.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]adamantane-1-carboxamide
Also Known As: N-[(1,3,5-trimethylpyrazol-4-yl)methyl]adamantane-1-carboxamide, N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-adamantanecarboxamide, N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
| Molecular Formula | C18H27N3O |
|---|---|
| Molecular Weight | 301.22 g/mol |
| LogP | 2.86954 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.21542 |
| Heavy Atoms | 22 |
| Complexity | 580.8094 |
Chemical Identifiers
| CAS Number | 492456-67-4 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C)CNC(=O)C23CC4CC(C2)CC(C4)C3 |
Product Overview
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]adamantane-1-carboxamide (CAS 492456-67-4), with molecular formula C18H27N3O and molecular weight 301.22 g/mol. IUPAC: N-[(1,3,5-trimethylpyrazol-4-yl)methyl]adamantane-1-carboxamide.
Chemical Property Profile of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]adamantane-1-carboxamide
Property Insights of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]adamantane-1-carboxamide
The XLogP value of 2.86954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]adamantane-1-carboxamide. With a topological polar surface area (TPSA) of 46.92 Ų, N-[(1,3,5-trimethylpyrazol-4-yl)methyl]adamantane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(1,3,5-trimethylpyrazol-4-yl)methyl]adamantane-1-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-[(1,3,5-trimethylpyrazol-4-yl)methyl]adamantane-1-carboxamide?
The CAS number of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]adamantane-1-carboxamide is 492456-67-4.
What is the molecular formula of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]adamantane-1-carboxamide?
The molecular formula of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]adamantane-1-carboxamide is C18H27N3O.
What is the molecular weight of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]adamantane-1-carboxamide?
The molecular weight of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]adamantane-1-carboxamide is 301.22 g/mol.
Where can I buy N-[(1,3,5-trimethylpyrazol-4-yl)methyl]adamantane-1-carboxamide?
You can request a quote for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]adamantane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.