1-[(3-fluorophenyl)methyl]-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one

C21H20F2N4O — CID 45213979

IUPAC1-[(3-fluorophenyl)methyl]-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2cc(F)ccc2-n2cccn2)CN1Cc1cccc(F)c1
InChIInChI=1S/C21H20F2N4O/c22-17-4-1-3-15(9-17)13-26-14-19(11-21(26)28)24-12-16-10-18(23)5-6-20(16)27-8-2-7-25-27/h1-10,19,24H,11-14H2
InChIKeyWBAKFLDNGUJGFN-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.04
Rot. Bonds6

About 1-[(3-fluorophenyl)methyl]-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one

1-[(3-fluorophenyl)methyl]-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one (PubChem CID 45213979) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one
PubChem CID45213979
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name1-[(3-fluorophenyl)methyl]-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2cc(F)ccc2-n2cccn2)CN1Cc1cccc(F)c1
InChIInChI=1S/C21H20F2N4O/c22-17-4-1-3-15(9-17)13-26-14-19(11-21(26)28)24-12-16-10-18(23)5-6-20(16)27-8-2-7-25-27/h1-10,19,24H,11-14H2
InChIKeyWBAKFLDNGUJGFN-UHFFFAOYSA-N
XLogP3.04
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-fluorophenyl)methyl]-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methylamino]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

Rgfp966
CID 56650312
5-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-2,4-imidazolidinedione
CID 660311
(5r)-5-[3-(4-Fluorophenyl)-1-Phenyl-1h-Pyrazol-4-Yl]imidazolidine-2,4-Dione
CID 948334
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-pentenamide
CID 23723494
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methyl-3-pyrazolecarboxamide
CID 24817447
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
(E)-3-(2-fluorophenyl)-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide
CID 9862544
1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 33948385
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide
CID 33950497
N-cyclohexyl-2-(3-fluoro-N-(2-pyrazol-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 68056678
N-(2-amino-4-fluorophenyl)-3-[1-(3-phenylprop-2-enyl)-4-pyrazolyl]-2-propenamide
CID 68294530
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
CID 46916312

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one (CID 45213979) is 1-[(3-fluorophenyl)methyl]-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one is O=C1CC(NCc2cc(F)ccc2-n2cccn2)CN1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one?
The InChIKey is WBAKFLDNGUJGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c22-17-4-1-3-15(9-17)13-26-14-19(11-21(26)28)24-12-16-10-18(23)5-6-20(16)27-8-2-7-25-27/h1-10,19,24H,11-14H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one?
1-[(3-fluorophenyl)methyl]-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one has a molecular weight of 382.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 45213979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).