![3-(4-fluorophenyl)-2-(naphthalen-1-yl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one structure](/static/products/449/449772-91-2.png)
3-(4-fluorophenyl)-2-(naphthalen-1-yl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one
TL;DR: 3-(4-fluorophenyl)-2-(naphthalen-1-yl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one (CAS 449772-91-2) is a chemical compound with molecular formula C21H18FN3O and molecular weight 347.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-2-naphthalen-1-yl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
Also Known As: 3-(4-fluorophenyl)-2-(naphthalen-1-yl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one, 1-(4-fluorophenyl)-2-naphthalen-1-yl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one, 3-(4-fluorophenyl)-2-(naphthalen-1-yl)tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one
| Molecular Formula | C21H18FN3O |
|---|---|
| Molecular Weight | 347.14 g/mol |
| LogP | 4.5404 |
| Topological Polar Surface Area | 26.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.1434 |
| Heavy Atoms | 26 |
| Complexity | 982.7226 |
Chemical Identifiers
| CAS Number | 449772-91-2 |
|---|---|
| SMILES | C1CN2C(N(C(=O)N2C1)C3=CC=CC4=CC=CC=C43)C5=CC=C(C=C5)F |
Product Overview
3-(4-fluorophenyl)-2-(naphthalen-1-yl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one (CAS 449772-91-2), with molecular formula C21H18FN3O and molecular weight 347.14 g/mol. IUPAC: 1-(4-fluorophenyl)-2-naphthalen-1-yl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one.
Chemical Property Profile of 3-(4-fluorophenyl)-2-(naphthalen-1-yl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one
Property Insights of 3-(4-fluorophenyl)-2-(naphthalen-1-yl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one
The XLogP value of 4.5404 indicates that 3-(4-fluorophenyl)-2-(naphthalen-1-yl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.79 Ų, 3-(4-fluorophenyl)-2-(naphthalen-1-yl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-fluorophenyl)-2-(naphthalen-1-yl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one has 0 hydrogen bond donor(s) and 2 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-(4-fluorophenyl)-2-(naphthalen-1-yl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one?
The CAS number of 3-(4-fluorophenyl)-2-(naphthalen-1-yl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one is 449772-91-2.
What is the molecular formula of 3-(4-fluorophenyl)-2-(naphthalen-1-yl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one?
The molecular formula of 3-(4-fluorophenyl)-2-(naphthalen-1-yl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one is C21H18FN3O.
What is the molecular weight of 3-(4-fluorophenyl)-2-(naphthalen-1-yl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one?
The molecular weight of 3-(4-fluorophenyl)-2-(naphthalen-1-yl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one is 347.14 g/mol.
Where can I buy 3-(4-fluorophenyl)-2-(naphthalen-1-yl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one?
You can request a quote for 3-(4-fluorophenyl)-2-(naphthalen-1-yl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-fluorophenyl)-2-(naphthalen-1-yl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-fluorophenyl)-2-(naphthalen-1-yl)tetrahydropyrazolo[1,2-a][1,2,4]triazol-1(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.