(3R)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one

C16H18ClFN4O — CID 124619263

IUPAC(3R)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESCN(Cc1c(Cl)cnn1C)[C@@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C16H18ClFN4O/c1-20(10-15-11(17)9-19-21(15)2)14-7-8-22(16(14)23)13-6-4-3-5-12(13)18/h3-6,9,14H,7-8,10H2,1-2H3/t14-/m1/s1
InChIKeyWWGHGYZAJNALMF-CQSZACIVSA-N
MW336.80 g/mol
LogP2.45
Rot. Bonds4

About (3R)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one

(3R)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one (PubChem CID 124619263) has the molecular formula C16H18ClFN4O and a molecular weight of 336.80 g/mol. Its IUPAC name is (3R)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
PubChem CID124619263
Molecular FormulaC16H18ClFN4O
Molecular Weight336.80 g/mol
Exact Mass336.12
IUPAC Name(3R)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESCN(Cc1c(Cl)cnn1C)[C@@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C16H18ClFN4O/c1-20(10-15-11(17)9-19-21(15)2)14-7-8-22(16(14)23)13-6-4-3-5-12(13)18/h3-6,9,14H,7-8,10H2,1-2H3/t14-/m1/s1
InChIKeyWWGHGYZAJNALMF-CQSZACIVSA-N
XLogP2.45
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl-methylamino]-1-(2-fluorophenyl)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)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one
CID 95623597
(3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 95623639
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 120751933
3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414901
(3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
CID 95623647
(3S)-1-(2-fluorophenyl)-3-[methyl-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]amino]pyrrolidin-2-one
CID 95783539
(3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
CID 97316471
(3R)-1-(2,6-difluorophenyl)-3-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]pyrrolidin-2-one
CID 97009592
5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide
CID 75371035
1-(2-fluorophenyl)-3-[methyl-[[3-(2-methylpropoxy)phenyl]methyl]amino]pyrrolidin-2-one
CID 139015673
6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile
CID 56788924
1-(2-fluorophenyl)-3-[methyl(piperidin-3-ylmethyl)amino]pyrrolidin-2-one
CID 119931685

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of (3R)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one (CID 124619263) is (3R)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one is CN(Cc1c(Cl)cnn1C)[C@@H]1CCN(c2ccccc2F)C1=O.
What is the InChIKey of (3R)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The InChIKey is WWGHGYZAJNALMF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18ClFN4O/c1-20(10-15-11(17)9-19-21(15)2)14-7-8-22(16(14)23)13-6-4-3-5-12(13)18/h3-6,9,14H,7-8,10H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
(3R)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one has a molecular weight of 336.80 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 124619263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).