5-(2,4-dimethylanilino)-4-nitro-3-methyl-1H-pyrazole
TL;DR: 5-(2,4-dimethylanilino)-4-nitro-3-methyl-1H-pyrazole (CAS 353245-63-3) is a chemical compound with molecular formula C12H14N4O2 and molecular weight 246.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dimethylphenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
Also Known As: 5-(2,4-dimethylanilino)-4-nitro-3-methyl-1H-pyrazole, N-(2,4-dimethylphenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine, N-(2,4-Dimethylphenyl)-3-methyl-4-nitro-1H-pyrazol-5-amine, (2,4-dimethylphenyl)-(5-methyl-4-nitro-1H-pyrazol-3-yl)amine
| Molecular Formula | C12H14N4O2 |
|---|---|
| Molecular Weight | 246.11 g/mol |
| LogP | 2.98676 |
| Topological Polar Surface Area | 83.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.11168 |
| Heavy Atoms | 18 |
| Complexity | 604.12006 |
Chemical Identifiers
| CAS Number | 353245-63-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC2=NNC(=C2[N+](=O)[O-])C)C |
Product Overview
5-(2,4-dimethylanilino)-4-nitro-3-methyl-1H-pyrazole (CAS 353245-63-3), with molecular formula C12H14N4O2 and molecular weight 246.11 g/mol. IUPAC: N-(2,4-dimethylphenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine.
Chemical Property Profile of 5-(2,4-dimethylanilino)-4-nitro-3-methyl-1H-pyrazole
Property Insights of 5-(2,4-dimethylanilino)-4-nitro-3-methyl-1H-pyrazole
The XLogP value of 2.98676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2,4-dimethylanilino)-4-nitro-3-methyl-1H-pyrazole. The TPSA of 83.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2,4-dimethylanilino)-4-nitro-3-methyl-1H-pyrazole. Following Lipinski's Rule of Five, 5-(2,4-dimethylanilino)-4-nitro-3-methyl-1H-pyrazole has 2 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 5-(2,4-dimethylanilino)-4-nitro-3-methyl-1H-pyrazole?
The CAS number of 5-(2,4-dimethylanilino)-4-nitro-3-methyl-1H-pyrazole is 353245-63-3.
What is the molecular formula of 5-(2,4-dimethylanilino)-4-nitro-3-methyl-1H-pyrazole?
The molecular formula of 5-(2,4-dimethylanilino)-4-nitro-3-methyl-1H-pyrazole is C12H14N4O2.
What is the molecular weight of 5-(2,4-dimethylanilino)-4-nitro-3-methyl-1H-pyrazole?
The molecular weight of 5-(2,4-dimethylanilino)-4-nitro-3-methyl-1H-pyrazole is 246.11 g/mol.
Where can I buy 5-(2,4-dimethylanilino)-4-nitro-3-methyl-1H-pyrazole?
You can request a quote for 5-(2,4-dimethylanilino)-4-nitro-3-methyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2,4-dimethylanilino)-4-nitro-3-methyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,4-dimethylanilino)-4-nitro-3-methyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.