5-[5-(3-fluorophenyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one

C20H19FN4O — CID 131906363

IUPAC5-[5-(3-fluorophenyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one
SMILESO=C1CCC(c2nc(-c3cccc(F)c3)nn2CCc2ccccc2)N1
InChIInChI=1S/C20H19FN4O/c21-16-8-4-7-15(13-16)19-23-20(17-9-10-18(26)22-17)25(24-19)12-11-14-5-2-1-3-6-14/h1-8,13,17H,9-12H2,(H,22,26)
InChIKeyXYPJMCHUKKTLOS-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.28
Rot. Bonds5

About 5-[5-(3-fluorophenyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one

5-[5-(3-fluorophenyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one (PubChem CID 131906363) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 5-[5-(3-fluorophenyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[5-(3-fluorophenyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one
PubChem CID131906363
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name5-[5-(3-fluorophenyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one
SMILESO=C1CCC(c2nc(-c3cccc(F)c3)nn2CCc2ccccc2)N1
InChIInChI=1S/C20H19FN4O/c21-16-8-4-7-15(13-16)19-23-20(17-9-10-18(26)22-17)25(24-19)12-11-14-5-2-1-3-6-14/h1-8,13,17H,9-12H2,(H,22,26)
InChIKeyXYPJMCHUKKTLOS-UHFFFAOYSA-N
XLogP3.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587747
5-[[5-phenyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione
CID 72884539
(5R)-5-[[2-[2-(1H-imidazol-5-yl)ethyl]-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one
CID 163310817
2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 143475083
(5R)-5-[[2-(2-methylprop-2-enyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one
CID 157015137
3-[2-(3-fluorophenyl)pyrimidin-5-yl]propanoic acid
CID 82384666
1-[2-(3-fluorophenyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64961025
2-[5-[(3R)-1-oxo-3,4-dihydro-2H-isoquinolin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide
CID 97436257
8-[(3-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenylethyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268456
(5R,6S)-6-[5-methyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]-5-phenylmorpholin-3-one
CID 157013222
(5S)-5-[2-[(3-methylphenyl)methyl]-5-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one
CID 164632130
8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973239

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-fluorophenyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one?
The IUPAC name of 5-[5-(3-fluorophenyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one (CID 131906363) is 5-[5-(3-fluorophenyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 5-[5-(3-fluorophenyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for 5-[5-(3-fluorophenyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one is O=C1CCC(c2nc(-c3cccc(F)c3)nn2CCc2ccccc2)N1.
What is the InChIKey of 5-[5-(3-fluorophenyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one?
The InChIKey is XYPJMCHUKKTLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-16-8-4-7-15(13-16)19-23-20(17-9-10-18(26)22-17)25(24-19)12-11-14-5-2-1-3-6-14/h1-8,13,17H,9-12H2,(H,22,26).
What are the key properties of 5-[5-(3-fluorophenyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one?
5-[5-(3-fluorophenyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one has a molecular weight of 350.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-fluorophenyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 131906363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).