1-(4-methylphenyl)-4-(1-nitro-2-naphthyl)-3-(trifluoromethyl)-1H-pyrazole
TL;DR: 1-(4-methylphenyl)-4-(1-nitro-2-naphthyl)-3-(trifluoromethyl)-1H-pyrazole (CAS 321998-67-8) is a chemical compound with molecular formula C21H14F3N3O2 and molecular weight 397.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-4-(1-nitronaphthalen-2-yl)-3-(trifluoromethyl)pyrazole
Also Known As: Bionet1_002294, 1-(4-methylphenyl)-4-(1-nitro-2-naphthyl)-3-(trifluoromethyl)-1H-pyrazole, 1-(4-methylphenyl)-4-(1-nitronaphthalen-2-yl)-3-(trifluoromethyl)-1H-pyrazole, 8L-711, 1-(4-methylphenyl)-4-(1-nitronaphthalen-2-yl)-3-(trifluoromethyl)pyrazole
| Molecular Formula | C21H14F3N3O2 |
|---|---|
| Molecular Weight | 397.10 g/mol |
| LogP | 5.92792 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.10382 |
| Heavy Atoms | 29 |
| Complexity | 1228.3842 |
Chemical Identifiers
| CAS Number | 321998-67-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C=C(C(=N2)C(F)(F)F)C3=C(C4=CC=CC=C4C=C3)[N+](=O)[O-] |
Product Overview
1-(4-methylphenyl)-4-(1-nitro-2-naphthyl)-3-(trifluoromethyl)-1H-pyrazole (CAS 321998-67-8), with molecular formula C21H14F3N3O2 and molecular weight 397.10 g/mol. IUPAC: 1-(4-methylphenyl)-4-(1-nitronaphthalen-2-yl)-3-(trifluoromethyl)pyrazole.
Chemical Property Profile of 1-(4-methylphenyl)-4-(1-nitro-2-naphthyl)-3-(trifluoromethyl)-1H-pyrazole
Property Insights of 1-(4-methylphenyl)-4-(1-nitro-2-naphthyl)-3-(trifluoromethyl)-1H-pyrazole
The XLogP value of 5.92792 indicates that 1-(4-methylphenyl)-4-(1-nitro-2-naphthyl)-3-(trifluoromethyl)-1H-pyrazole 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-(4-methylphenyl)-4-(1-nitro-2-naphthyl)-3-(trifluoromethyl)-1H-pyrazole. Following Lipinski's Rule of Five, 1-(4-methylphenyl)-4-(1-nitro-2-naphthyl)-3-(trifluoromethyl)-1H-pyrazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-methylphenyl)-4-(1-nitro-2-naphthyl)-3-(trifluoromethyl)-1H-pyrazole?
The CAS number of 1-(4-methylphenyl)-4-(1-nitro-2-naphthyl)-3-(trifluoromethyl)-1H-pyrazole is 321998-67-8.
What is the molecular formula of 1-(4-methylphenyl)-4-(1-nitro-2-naphthyl)-3-(trifluoromethyl)-1H-pyrazole?
The molecular formula of 1-(4-methylphenyl)-4-(1-nitro-2-naphthyl)-3-(trifluoromethyl)-1H-pyrazole is C21H14F3N3O2.
What is the molecular weight of 1-(4-methylphenyl)-4-(1-nitro-2-naphthyl)-3-(trifluoromethyl)-1H-pyrazole?
The molecular weight of 1-(4-methylphenyl)-4-(1-nitro-2-naphthyl)-3-(trifluoromethyl)-1H-pyrazole is 397.10 g/mol.
Where can I buy 1-(4-methylphenyl)-4-(1-nitro-2-naphthyl)-3-(trifluoromethyl)-1H-pyrazole?
You can request a quote for 1-(4-methylphenyl)-4-(1-nitro-2-naphthyl)-3-(trifluoromethyl)-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-(4-methylphenyl)-4-(1-nitro-2-naphthyl)-3-(trifluoromethyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methylphenyl)-4-(1-nitro-2-naphthyl)-3-(trifluoromethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.