4-[3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one

C21H23N5O3 — CID 126945157

IUPAC4-[3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2)C1)N1CC(n2cc(N3CCCC3=O)cn2)C1
InChIInChI=1S/C21H23N5O3/c27-19-7-4-8-24(19)17-10-22-26(14-17)18-12-23(13-18)21(29)15-9-20(28)25(11-15)16-5-2-1-3-6-16/h1-3,5-6,10,14-15,18H,4,7-9,11-13H2
InChIKeyJTBUOWBAGFUSLN-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.45
Rot. Bonds4

About 4-[3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one

4-[3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one (PubChem CID 126945157) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 4-[3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
PubChem CID126945157
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name4-[3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2)C1)N1CC(n2cc(N3CCCC3=O)cn2)C1
InChIInChI=1S/C21H23N5O3/c27-19-7-4-8-24(19)17-10-22-26(14-17)18-12-23(13-18)21(29)15-9-20(28)25(11-15)16-5-2-1-3-6-16/h1-3,5-6,10,14-15,18H,4,7-9,11-13H2
InChIKeyJTBUOWBAGFUSLN-UHFFFAOYSA-N
XLogP1.45
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one with MolForge

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Related Compounds

1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158638
1-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945566
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
1-[1-[1-(1H-imidazole-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945209
1-[1-[1-(1H-indole-6-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945200
1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945570
1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945573
4-[3-(4-ethylpiperazin-1-yl)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 126891892
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 168697848
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-[3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one (CID 126945157) is 4-[3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-[3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-[3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one is O=C(C1CC(=O)N(c2ccccc2)C1)N1CC(n2cc(N3CCCC3=O)cn2)C1.
What is the InChIKey of 4-[3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The InChIKey is JTBUOWBAGFUSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c27-19-7-4-8-24(19)17-10-22-26(14-17)18-12-23(13-18)21(29)15-9-20(28)25(11-15)16-5-2-1-3-6-16/h1-3,5-6,10,14-15,18H,4,7-9,11-13H2.
What are the key properties of 4-[3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
4-[3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one has a molecular weight of 393.45 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 126945157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).