3-amino-1-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-4-methylazetidin-2-one

C12H20N4O — CID 112757939

IUPAC3-amino-1-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-4-methylazetidin-2-one
SMILESCC1C(N)C(=O)N1c1cnn(CC(C)(C)C)c1
InChIInChI=1S/C12H20N4O/c1-8-10(13)11(17)16(8)9-5-14-15(6-9)7-12(2,3)4/h5-6,8,10H,7,13H2,1-4H3
InChIKeyMUDYZYQZVCLIOH-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.99
Rot. Bonds2

About 3-amino-1-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-4-methylazetidin-2-one

3-amino-1-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-4-methylazetidin-2-one (PubChem CID 112757939) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-amino-1-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-4-methylazetidin-2-one.

Molecular Properties

Compound Name3-amino-1-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-4-methylazetidin-2-one
PubChem CID112757939
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-amino-1-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-4-methylazetidin-2-one
SMILESCC1C(N)C(=O)N1c1cnn(CC(C)(C)C)c1
InChIInChI=1S/C12H20N4O/c1-8-10(13)11(17)16(8)9-5-14-15(6-9)7-12(2,3)4/h5-6,8,10H,7,13H2,1-4H3
InChIKeyMUDYZYQZVCLIOH-UHFFFAOYSA-N
XLogP0.99
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-4-methylazetidin-2-one?
The IUPAC name of 3-amino-1-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-4-methylazetidin-2-one (CID 112757939) is 3-amino-1-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-4-methylazetidin-2-one.
What is the SMILES notation for 3-amino-1-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-4-methylazetidin-2-one?
The canonical SMILES for 3-amino-1-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-4-methylazetidin-2-one is CC1C(N)C(=O)N1c1cnn(CC(C)(C)C)c1.
What is the InChIKey of 3-amino-1-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-4-methylazetidin-2-one?
The InChIKey is MUDYZYQZVCLIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-10(13)11(17)16(8)9-5-14-15(6-9)7-12(2,3)4/h5-6,8,10H,7,13H2,1-4H3.
What are the key properties of 3-amino-1-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-4-methylazetidin-2-one?
3-amino-1-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-4-methylazetidin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-4-methylazetidin-2-one is sourced from PubChem (CID 112757939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).