(4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one

C20H24N4O2 — CID 97281698

IUPAC(4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
SMILESCc1cc(C)n(C2CN(C(=O)CN3C[C@H](c4ccccc4)CC3=O)C2)n1
InChIInChI=1S/C20H24N4O2/c1-14-8-15(2)24(21-14)18-11-23(12-18)20(26)13-22-10-17(9-19(22)25)16-6-4-3-5-7-16/h3-8,17-18H,9-13H2,1-2H3/t17-/m1/s1
InChIKeyFNPXJKGCSGCPPS-QGZVFWFLSA-N
MW352.44 g/mol
LogP1.90
Rot. Bonds4

About (4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one

(4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one (PubChem CID 97281698) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
PubChem CID97281698
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
SMILESCc1cc(C)n(C2CN(C(=O)CN3C[C@H](c4ccccc4)CC3=O)C2)n1
InChIInChI=1S/C20H24N4O2/c1-14-8-15(2)24(21-14)18-11-23(12-18)20(26)13-22-10-17(9-19(22)25)16-6-4-3-5-7-16/h3-8,17-18H,9-13H2,1-2H3/t17-/m1/s1
InChIKeyFNPXJKGCSGCPPS-QGZVFWFLSA-N
XLogP1.90
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-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-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 72884888
1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 91837974
(4R)-1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 124854698
2-methyl-8-[2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 124851812
2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 781884
(4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 97271353
(4R)-1-[2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 97274809
1-[2-oxo-2-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-4-phenylpyrrolidin-2-one
CID 45220276
2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide;hydrochloride
CID 170974229
1-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 97271132
2-[(2-chlorophenyl)methylsulfanyl]-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanone
CID 135103123
2-methyl-9-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97278874

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one (CID 97281698) is (4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one is Cc1cc(C)n(C2CN(C(=O)CN3C[C@H](c4ccccc4)CC3=O)C2)n1.
What is the InChIKey of (4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one?
The InChIKey is FNPXJKGCSGCPPS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-8-15(2)24(21-14)18-11-23(12-18)20(26)13-22-10-17(9-19(22)25)16-6-4-3-5-7-16/h3-8,17-18H,9-13H2,1-2H3/t17-/m1/s1.
What are the key properties of (4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one?
(4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one has a molecular weight of 352.44 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 97281698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).