(3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one

C18H23ClN4O — CID 125138396

IUPAC(3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one
SMILESCCn1nccc1CCN(C)[C@H]1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C18H23ClN4O/c1-3-23-14(8-11-20-23)9-12-21(2)17-10-13-22(18(17)24)16-7-5-4-6-15(16)19/h4-8,11,17H,3,9-10,12-13H2,1-2H3/t17-/m0/s1
InChIKeyXMMBPRIVFLVKRM-KRWDZBQOSA-N
MW346.86 g/mol
LogP2.84
Rot. Bonds6

About (3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one

(3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one (PubChem CID 125138396) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is (3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one
PubChem CID125138396
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name(3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one
SMILESCCn1nccc1CCN(C)[C@H]1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C18H23ClN4O/c1-3-23-14(8-11-20-23)9-12-21(2)17-10-13-22(18(17)24)16-7-5-4-6-15(16)19/h4-8,11,17H,3,9-10,12-13H2,1-2H3/t17-/m0/s1
InChIKeyXMMBPRIVFLVKRM-KRWDZBQOSA-N
XLogP2.84
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-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

1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
CID 56787467
1-(2-chlorophenyl)-3-[4-hydroxybutyl(methyl)amino]pyrrolidin-2-one
CID 111113627
3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414900
(3R)-1-(2-chlorophenyl)-3-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrrolidin-2-one
CID 95306666
1-(2-chlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-2-one
CID 111113625
(3R)-1-(2-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]pyrrolidin-2-one
CID 95619951
1-(2-chlorophenyl)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]pyrrolidin-2-one
CID 111976754
1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one
CID 56787466
(3R)-1-(2-chlorophenyl)-3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]pyrrolidin-2-one
CID 95331492
(3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
CID 95623647
N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-3-carboxamide
CID 95310213
1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one
CID 133460651

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one?
The IUPAC name of (3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one (CID 125138396) is (3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one is CCn1nccc1CCN(C)[C@H]1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of (3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one?
The InChIKey is XMMBPRIVFLVKRM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-3-23-14(8-11-20-23)9-12-21(2)17-10-13-22(18(17)24)16-7-5-4-6-15(16)19/h4-8,11,17H,3,9-10,12-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one?
(3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one has a molecular weight of 346.86 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one is sourced from PubChem (CID 125138396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).