N-(1-adamantyl)-4-chloro-N,1-dimethylpyrazole-3-carboxamide
TL;DR: N-(1-adamantyl)-4-chloro-N,1-dimethylpyrazole-3-carboxamide (CAS 515846-90-9) is a chemical compound with molecular formula C16H22ClN3O and molecular weight 307.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantyl)-4-chloro-N,1-dimethylpyrazole-3-carboxamide
Also Known As: N-(1-adamantyl)-4-chloro-N,1-dimethylpyrazole-3-carboxamide, N-(1-adamantyl)-4-chloro-N,1-dimethyl-1H-pyrazole-3-carboxamide, 4-chloro-N,1-dimethyl-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazole-3-carboxamide
| Molecular Formula | C16H22ClN3O |
|---|---|
| Molecular Weight | 307.15 g/mol |
| LogP | 3.1143 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.14514 |
| Heavy Atoms | 21 |
| Complexity | 559.0584 |
Chemical Identifiers
| CAS Number | 515846-90-9 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(=O)N(C)C23CC4CC(C2)CC(C4)C3)Cl |
Product Overview
N-(1-adamantyl)-4-chloro-N,1-dimethylpyrazole-3-carboxamide (CAS 515846-90-9), with molecular formula C16H22ClN3O and molecular weight 307.15 g/mol. IUPAC: N-(1-adamantyl)-4-chloro-N,1-dimethylpyrazole-3-carboxamide.
Chemical Property Profile of N-(1-adamantyl)-4-chloro-N,1-dimethylpyrazole-3-carboxamide
Property Insights of N-(1-adamantyl)-4-chloro-N,1-dimethylpyrazole-3-carboxamide
The XLogP value of 3.1143 indicates that N-(1-adamantyl)-4-chloro-N,1-dimethylpyrazole-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, N-(1-adamantyl)-4-chloro-N,1-dimethylpyrazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-adamantyl)-4-chloro-N,1-dimethylpyrazole-3-carboxamide has 0 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-chloro-N,1-dimethylpyrazole-3-carboxamide?
The CAS number of N-(1-adamantyl)-4-chloro-N,1-dimethylpyrazole-3-carboxamide is 515846-90-9.
What is the molecular formula of N-(1-adamantyl)-4-chloro-N,1-dimethylpyrazole-3-carboxamide?
The molecular formula of N-(1-adamantyl)-4-chloro-N,1-dimethylpyrazole-3-carboxamide is C16H22ClN3O.
What is the molecular weight of N-(1-adamantyl)-4-chloro-N,1-dimethylpyrazole-3-carboxamide?
The molecular weight of N-(1-adamantyl)-4-chloro-N,1-dimethylpyrazole-3-carboxamide is 307.15 g/mol.
Where can I buy N-(1-adamantyl)-4-chloro-N,1-dimethylpyrazole-3-carboxamide?
You can request a quote for N-(1-adamantyl)-4-chloro-N,1-dimethylpyrazole-3-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-chloro-N,1-dimethylpyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-adamantyl)-4-chloro-N,1-dimethylpyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.