3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one

C19H16FN3O — CID 118238989

IUPAC3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESO=C1C(c2ccc(F)cc2)CCN1c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H16FN3O/c20-16-5-1-14(2-6-16)18-9-10-23(19(18)24)17-7-3-13(4-8-17)15-11-21-22-12-15/h1-8,11-12,18H,9-10H2,(H,21,22)
InChIKeyHIHIYBBZHNELCO-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.74
Rot. Bonds3

About 3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one

3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (PubChem CID 118238989) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
PubChem CID118238989
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESO=C1C(c2ccc(F)cc2)CCN1c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H16FN3O/c20-16-5-1-14(2-6-16)18-9-10-23(19(18)24)17-7-3-13(4-8-17)15-11-21-22-12-15/h1-8,11-12,18H,9-10H2,(H,21,22)
InChIKeyHIHIYBBZHNELCO-UHFFFAOYSA-N
XLogP3.74
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one 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

(3R)-3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 125488196
3-(3-hydroxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 138567238
3-(3-fluoroanilino)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 122515866
4-(4-fluorophenyl)-1H-pyrazole
CID 15376482
3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide
CID 148515048
1'-[4-(1H-pyrazol-4-yl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one
CID 145438955
(3S)-3-(3-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one
CID 125488307
1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid
CID 69133100
3-bromo-1-(4-fluorophenyl)pyrrolidin-2-one
CID 63788392
3-(1H-pyrazol-4-yl)-1-pyridin-2-ylpyrrolidin-2-one
CID 67303473
3-(4-fluoro-2-methylanilino)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 138567307
2-[4-(1H-pyrazol-4-yl)phenyl]-4H-1,2,4-triazol-3-one
CID 138620898

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (CID 118238989) is 3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is O=C1C(c2ccc(F)cc2)CCN1c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The InChIKey is HIHIYBBZHNELCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c20-16-5-1-14(2-6-16)18-9-10-23(19(18)24)17-7-3-13(4-8-17)15-11-21-22-12-15/h1-8,11-12,18H,9-10H2,(H,21,22).
What are the key properties of 3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one has a molecular weight of 321.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 118238989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).