1-(3-methoxybenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
TL;DR: 1-(3-methoxybenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole (CAS 957310-72-4) is a chemical compound with molecular formula C13H15N3O3 and molecular weight 261.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-nitropyrazole
Also Known As: 1-(3-methoxybenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole, 1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-nitropyrazole
| Molecular Formula | C13H15N3O3 |
|---|---|
| Molecular Weight | 261.11 g/mol |
| LogP | 2.46504 |
| Topological Polar Surface Area | 70.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.11133 |
| Heavy Atoms | 19 |
| Complexity | 619.5912 |
Chemical Identifiers
| CAS Number | 957310-72-4 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC(=CC=C2)OC)C)[N+](=O)[O-] |
Product Overview
1-(3-methoxybenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole (CAS 957310-72-4), with molecular formula C13H15N3O3 and molecular weight 261.11 g/mol. IUPAC: 1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-nitropyrazole.
Chemical Property Profile of 1-(3-methoxybenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
Property Insights of 1-(3-methoxybenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
The XLogP value of 2.46504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-methoxybenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole. The TPSA of 70.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-methoxybenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole. Following Lipinski's Rule of Five, 1-(3-methoxybenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole has 0 hydrogen bond donor(s) and 4 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-(3-methoxybenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole?
The CAS number of 1-(3-methoxybenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole is 957310-72-4.
What is the molecular formula of 1-(3-methoxybenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole?
The molecular formula of 1-(3-methoxybenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole is C13H15N3O3.
What is the molecular weight of 1-(3-methoxybenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole?
The molecular weight of 1-(3-methoxybenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole is 261.11 g/mol.
Where can I buy 1-(3-methoxybenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole?
You can request a quote for 1-(3-methoxybenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-methoxybenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-methoxybenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.