(3S)-1-(3,5-dimethoxyphenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one

C18H24N4O3 — CID 124508156

IUPAC(3S)-1-(3,5-dimethoxyphenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one
SMILESCOc1cc(OC)cc(N2CC[C@H](N(C)Cc3cnn(C)c3)C2=O)c1
InChIInChI=1S/C18H24N4O3/c1-20(11-13-10-19-21(2)12-13)17-5-6-22(18(17)23)14-7-15(24-3)9-16(8-14)25-4/h7-10,12,17H,5-6,11H2,1-4H3/t17-/m0/s1
InChIKeyFCWDXBHMGQODSI-KRWDZBQOSA-N
MW344.42 g/mol
LogP1.67
Rot. Bonds6

About (3S)-1-(3,5-dimethoxyphenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one

(3S)-1-(3,5-dimethoxyphenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one (PubChem CID 124508156) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (3S)-1-(3,5-dimethoxyphenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-(3,5-dimethoxyphenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one
PubChem CID124508156
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(3S)-1-(3,5-dimethoxyphenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one
SMILESCOc1cc(OC)cc(N2CC[C@H](N(C)Cc3cnn(C)c3)C2=O)c1
InChIInChI=1S/C18H24N4O3/c1-20(11-13-10-19-21(2)12-13)17-5-6-22(18(17)23)14-7-15(24-3)9-16(8-14)25-4/h7-10,12,17H,5-6,11H2,1-4H3/t17-/m0/s1
InChIKeyFCWDXBHMGQODSI-KRWDZBQOSA-N
XLogP1.67
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3S)-1-(3,5-dimethoxyphenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]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-(3-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one
CID 71861486
(3S)-1-(3,5-dimethoxyphenyl)-3-[methyl(1H-pyrazol-5-ylmethyl)amino]pyrrolidin-2-one
CID 124608907
3-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 120904511
(3S)-3-[2,2-difluoroethyl(methyl)amino]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one
CID 96525253
1-(3,5-dimethoxyphenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]pyrrolidin-2-one
CID 133428745
1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one
CID 120904514
(2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
CID 119341756
(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 95898562
1-(3,5-dimethoxyphenyl)-3-[[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-methylamino]pyrrolidin-2-one
CID 138998986
(3S)-3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 97101455
(3R)-3-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 97101454
7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride
CID 119815316

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,5-dimethoxyphenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one?
The IUPAC name of (3S)-1-(3,5-dimethoxyphenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one (CID 124508156) is (3S)-1-(3,5-dimethoxyphenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-(3,5-dimethoxyphenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-(3,5-dimethoxyphenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one is COc1cc(OC)cc(N2CC[C@H](N(C)Cc3cnn(C)c3)C2=O)c1.
What is the InChIKey of (3S)-1-(3,5-dimethoxyphenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one?
The InChIKey is FCWDXBHMGQODSI-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-20(11-13-10-19-21(2)12-13)17-5-6-22(18(17)23)14-7-15(24-3)9-16(8-14)25-4/h7-10,12,17H,5-6,11H2,1-4H3/t17-/m0/s1.
What are the key properties of (3S)-1-(3,5-dimethoxyphenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one?
(3S)-1-(3,5-dimethoxyphenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one has a molecular weight of 344.42 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,5-dimethoxyphenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 124508156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).