2-[1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazol-4-yl]quinoline

C22H18F3N3O — CID 3533826

IUPAC2-[1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazol-4-yl]quinoline
SMILESFC(F)(F)c1cccc(COCCn2cc(-c3ccc4ccccc4n3)cn2)c1
InChIInChI=1S/C22H18F3N3O/c23-22(24,25)19-6-3-4-16(12-19)15-29-11-10-28-14-18(13-26-28)21-9-8-17-5-1-2-7-20(17)27-21/h1-9,12-14H,10-11,15H2
InChIKeyVXLYDXNYMBXQSP-UHFFFAOYSA-N
MW397.40 g/mol
LogP5.33
Rot. Bonds6

About 2-[1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazol-4-yl]quinoline

2-[1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazol-4-yl]quinoline (PubChem CID 3533826) has the molecular formula C22H18F3N3O and a molecular weight of 397.40 g/mol. Its IUPAC name is 2-[1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazol-4-yl]quinoline.

Molecular Properties

Compound Name2-[1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazol-4-yl]quinoline
PubChem CID3533826
Molecular FormulaC22H18F3N3O
Molecular Weight397.40 g/mol
Exact Mass397.14
IUPAC Name2-[1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazol-4-yl]quinoline
SMILESFC(F)(F)c1cccc(COCCn2cc(-c3ccc4ccccc4n3)cn2)c1
InChIInChI=1S/C22H18F3N3O/c23-22(24,25)19-6-3-4-16(12-19)15-29-11-10-28-14-18(13-26-28)21-9-8-17-5-1-2-7-20(17)27-21/h1-9,12-14H,10-11,15H2
InChIKeyVXLYDXNYMBXQSP-UHFFFAOYSA-N
XLogP5.33
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.40
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazol-4-yl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline
CID 11648276
1-Methyl-5-[[4-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methyl]indazole
CID 168275381
5-[[4-[(3,4-Difluorophenyl)methoxy]piperidin-1-yl]methyl]-1-methylindazole
CID 168296363
8-(4-Fluoro-1-methyl-1H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ylamine, Enantiomer II
CID 121379068
(S)-1-(6-(2-(4-(trifluoromethyl)benzyl)-2H-indazol-5-yl)pyridin-2-yl)ethane-1,2-diol
CID 118414385
Dimethyl-[8-(1-methyl-1H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]-amine, Enantiomer II
CID 121379061
8-(1-Methyl-1H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ylamine, Enantiomer II
CID 121379072
8-(1,5-Dimethyl-1H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ylamine, Enantiomer II
CID 121389384
2-[6-(3-Fluorophenyl)pyridin-2-YL]-4-[(1-methylpyrazol-4-YL)methyl]morpholine
CID 118740141
1-methyl-5-[[(3S)-3-[(6-methyl-2-pyridinyl)methoxy]piperidin-1-yl]methyl]indazole
CID 171347243
1-methyl-5-[[(3S)-3-[(2-methylphenyl)methoxy]piperidin-1-yl]methyl]indazole
CID 171348668
Ctk0J6784
CID 11208459

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazol-4-yl]quinoline?
The IUPAC name of 2-[1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazol-4-yl]quinoline (CID 3533826) is 2-[1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazol-4-yl]quinoline.
What is the SMILES notation for 2-[1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazol-4-yl]quinoline?
The canonical SMILES for 2-[1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazol-4-yl]quinoline is FC(F)(F)c1cccc(COCCn2cc(-c3ccc4ccccc4n3)cn2)c1.
What is the InChIKey of 2-[1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazol-4-yl]quinoline?
The InChIKey is VXLYDXNYMBXQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O/c23-22(24,25)19-6-3-4-16(12-19)15-29-11-10-28-14-18(13-26-28)21-9-8-17-5-1-2-7-20(17)27-21/h1-9,12-14H,10-11,15H2.
What are the key properties of 2-[1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazol-4-yl]quinoline?
2-[1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazol-4-yl]quinoline has a molecular weight of 397.40 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazol-4-yl]quinoline is sourced from PubChem (CID 3533826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).