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1-[(2-Methylphenyl)methyl]-3-nitro-1H-pyrazole
TL;DR: 1-[(2-Methylphenyl)methyl]-3-nitro-1H-pyrazole (CAS 512809-17-5) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-methylphenyl)methyl]-3-nitropyrazole
Also Known As: 1-(2-methylbenzyl)-3-nitro-1H-pyrazole, 1-[(2-Methylphenyl)methyl]-3-nitro-1H-pyrazole, 1-[(2-methylphenyl)methyl]-3-nitropyrazole, 3-nitro-1-(o-tolylmethyl)pyrazole, 3-nitro-1-(2-methylbenzyl)-1H-pyrazole
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 2.14802 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 519.4532 |
Chemical Identifiers
| CAS Number | 512809-17-5 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2C=CC(=N2)[N+](=O)[O-] |
Product Overview
1-[(2-Methylphenyl)methyl]-3-nitro-1H-pyrazole (CAS 512809-17-5), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: 1-[(2-methylphenyl)methyl]-3-nitropyrazole.
Chemical Property Profile of 1-[(2-Methylphenyl)methyl]-3-nitro-1H-pyrazole
Property Insights of 1-[(2-Methylphenyl)methyl]-3-nitro-1H-pyrazole
The XLogP value of 2.14802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-Methylphenyl)methyl]-3-nitro-1H-pyrazole. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2-Methylphenyl)methyl]-3-nitro-1H-pyrazole. Following Lipinski's Rule of Five, 1-[(2-Methylphenyl)methyl]-3-nitro-1H-pyrazole 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-Methylphenyl)methyl]-3-nitro-1H-pyrazole?
The CAS number of 1-[(2-Methylphenyl)methyl]-3-nitro-1H-pyrazole is 512809-17-5.
What is the molecular formula of 1-[(2-Methylphenyl)methyl]-3-nitro-1H-pyrazole?
The molecular formula of 1-[(2-Methylphenyl)methyl]-3-nitro-1H-pyrazole is C11H11N3O2.
What is the molecular weight of 1-[(2-Methylphenyl)methyl]-3-nitro-1H-pyrazole?
The molecular weight of 1-[(2-Methylphenyl)methyl]-3-nitro-1H-pyrazole is 217.09 g/mol.
Where can I buy 1-[(2-Methylphenyl)methyl]-3-nitro-1H-pyrazole?
You can request a quote for 1-[(2-Methylphenyl)methyl]-3-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-[(2-Methylphenyl)methyl]-3-nitro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-Methylphenyl)methyl]-3-nitro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.