3,5-Dimethyl-4-nitro-1-(3-trifluoromethyl-phenoxymethyl)-1H-pyrazole
TL;DR: 3,5-Dimethyl-4-nitro-1-(3-trifluoromethyl-phenoxymethyl)-1H-pyrazole (CAS 1001519-03-4) is a chemical compound with molecular formula C13H12F3N3O3 and molecular weight 315.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-4-nitro-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole
Also Known As: 3,5-Dimethyl-4-nitro-1-(3-trifluoromethyl-phenoxymethyl)-1H-pyrazole, 3,5-dimethyl-4-nitro-1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole, (3,5-DIMETHYL-4-NITRO-1H-PYRAZOL-1-YL)METHYL [3-(TRIFLUOROMETHYL)PHENYL] ETHER
| Molecular Formula | C13H12F3N3O3 |
|---|---|
| Molecular Weight | 315.08 g/mol |
| LogP | 3.46344 |
| Topological Polar Surface Area | 70.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.08307 |
| Heavy Atoms | 22 |
| Complexity | 710.2864 |
Chemical Identifiers
| CAS Number | 1001519-03-4 |
|---|---|
| SMILES | CC1=C(C(=NN1COC2=CC=CC(=C2)C(F)(F)F)C)[N+](=O)[O-] |
Product Overview
3,5-Dimethyl-4-nitro-1-(3-trifluoromethyl-phenoxymethyl)-1H-pyrazole (CAS 1001519-03-4), with molecular formula C13H12F3N3O3 and molecular weight 315.08 g/mol. IUPAC: 3,5-dimethyl-4-nitro-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole.
Chemical Property Profile of 3,5-Dimethyl-4-nitro-1-(3-trifluoromethyl-phenoxymethyl)-1H-pyrazole
Property Insights of 3,5-Dimethyl-4-nitro-1-(3-trifluoromethyl-phenoxymethyl)-1H-pyrazole
The XLogP value of 3.46344 indicates that 3,5-Dimethyl-4-nitro-1-(3-trifluoromethyl-phenoxymethyl)-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-4-nitro-1-(3-trifluoromethyl-phenoxymethyl)-1H-pyrazole. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-nitro-1-(3-trifluoromethyl-phenoxymethyl)-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 3,5-Dimethyl-4-nitro-1-(3-trifluoromethyl-phenoxymethyl)-1H-pyrazole?
The CAS number of 3,5-Dimethyl-4-nitro-1-(3-trifluoromethyl-phenoxymethyl)-1H-pyrazole is 1001519-03-4.
What is the molecular formula of 3,5-Dimethyl-4-nitro-1-(3-trifluoromethyl-phenoxymethyl)-1H-pyrazole?
The molecular formula of 3,5-Dimethyl-4-nitro-1-(3-trifluoromethyl-phenoxymethyl)-1H-pyrazole is C13H12F3N3O3.
What is the molecular weight of 3,5-Dimethyl-4-nitro-1-(3-trifluoromethyl-phenoxymethyl)-1H-pyrazole?
The molecular weight of 3,5-Dimethyl-4-nitro-1-(3-trifluoromethyl-phenoxymethyl)-1H-pyrazole is 315.08 g/mol.
Where can I buy 3,5-Dimethyl-4-nitro-1-(3-trifluoromethyl-phenoxymethyl)-1H-pyrazole?
You can request a quote for 3,5-Dimethyl-4-nitro-1-(3-trifluoromethyl-phenoxymethyl)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-4-nitro-1-(3-trifluoromethyl-phenoxymethyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4-nitro-1-(3-trifluoromethyl-phenoxymethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.