1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one

C11H16N4O — CID 126945570

IUPAC1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
SMILESCN1CC(n2cc(N3CCCC3=O)cn2)C1
InChIInChI=1S/C11H16N4O/c1-13-6-10(7-13)15-8-9(5-12-15)14-4-2-3-11(14)16/h5,8,10H,2-4,6-7H2,1H3
InChIKeyKFVXDYXTGJDMIN-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.50
Rot. Bonds2

About 1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one

1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126945570) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
PubChem CID126945570
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
SMILESCN1CC(n2cc(N3CCCC3=O)cn2)C1
InChIInChI=1S/C11H16N4O/c1-13-6-10(7-13)15-8-9(5-12-15)14-4-2-3-11(14)16/h5,8,10H,2-4,6-7H2,1H3
InChIKeyKFVXDYXTGJDMIN-UHFFFAOYSA-N
XLogP0.50
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945248
1-[1-(1-propan-2-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126948262
1-[1-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948429
1-[1-[1-(1,2,5-thiadiazol-3-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945328
1-[1-[1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948381
1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945532
1-[1-[1-[2-(triazol-1-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945415
1-[1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945269
1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948247
1-[1-[1-(2-methyl-1,3-oxazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945247
1-[1-(1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945353
1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945193

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one (CID 126945570) is 1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one is CN1CC(n2cc(N3CCCC3=O)cn2)C1.
What is the InChIKey of 1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is KFVXDYXTGJDMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-13-6-10(7-13)15-8-9(5-12-15)14-4-2-3-11(14)16/h5,8,10H,2-4,6-7H2,1H3.
What are the key properties of 1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one?
1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 220.28 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126945570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).