1-(1-Adamantyl)-3-methyl-4-nitropyrazole
TL;DR: 1-(1-Adamantyl)-3-methyl-4-nitropyrazole (CAS 444010-36-0) is a chemical compound with molecular formula C14H19N3O2 and molecular weight 261.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-3-methyl-4-nitropyrazole
Also Known As: 1-(1-adamantyl)-3-methyl-4-nitropyrazole, 1-adamantanyl-3-methyl-4-nitropyrazole, 1-(1-adamantyl)-4-nitro-3-methyl-1H-pyrazole, 1-(1-ADAMANTYL)-3-METHYL-4-NITRO-1H-PYRAZOLE, 3-methyl-4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazole
| Molecular Formula | C14H19N3O2 |
|---|---|
| Molecular Weight | 261.15 g/mol |
| LogP | 3.02502 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.14774 |
| Heavy Atoms | 19 |
| Complexity | 513.6018 |
Chemical Identifiers
| CAS Number | 444010-36-0 |
|---|---|
| SMILES | CC1=NN(C=C1[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3 |
Product Overview
1-(1-Adamantyl)-3-methyl-4-nitropyrazole (CAS 444010-36-0), with molecular formula C14H19N3O2 and molecular weight 261.15 g/mol. IUPAC: 1-(1-adamantyl)-3-methyl-4-nitropyrazole.
Chemical Property Profile of 1-(1-Adamantyl)-3-methyl-4-nitropyrazole
Property Insights of 1-(1-Adamantyl)-3-methyl-4-nitropyrazole
The XLogP value of 3.02502 indicates that 1-(1-Adamantyl)-3-methyl-4-nitropyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-Adamantyl)-3-methyl-4-nitropyrazole. Following Lipinski's Rule of Five, 1-(1-Adamantyl)-3-methyl-4-nitropyrazole 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-(1-Adamantyl)-3-methyl-4-nitropyrazole?
The CAS number of 1-(1-Adamantyl)-3-methyl-4-nitropyrazole is 444010-36-0.
What is the molecular formula of 1-(1-Adamantyl)-3-methyl-4-nitropyrazole?
The molecular formula of 1-(1-Adamantyl)-3-methyl-4-nitropyrazole is C14H19N3O2.
What is the molecular weight of 1-(1-Adamantyl)-3-methyl-4-nitropyrazole?
The molecular weight of 1-(1-Adamantyl)-3-methyl-4-nitropyrazole is 261.15 g/mol.
Where can I buy 1-(1-Adamantyl)-3-methyl-4-nitropyrazole?
You can request a quote for 1-(1-Adamantyl)-3-methyl-4-nitropyrazole 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)-3-methyl-4-nitropyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Adamantyl)-3-methyl-4-nitropyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.