1-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone

C11H15F2N3O2 — CID 146134124

IUPAC1-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCc1cc(CC(=O)N2CC(O)(C(F)F)C2)n(C)n1
InChIInChI=1S/C11H15F2N3O2/c1-7-3-8(15(2)14-7)4-9(17)16-5-11(18,6-16)10(12)13/h3,10,18H,4-6H2,1-2H3
InChIKeyFWWBHCZIOIHUJW-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.11
Rot. Bonds3

About 1-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone

1-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone (PubChem CID 146134124) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone
PubChem CID146134124
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name1-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCc1cc(CC(=O)N2CC(O)(C(F)F)C2)n(C)n1
InChIInChI=1S/C11H15F2N3O2/c1-7-3-8(15(2)14-7)4-9(17)16-5-11(18,6-16)10(12)13/h3,10,18H,4-6H2,1-2H3
InChIKeyFWWBHCZIOIHUJW-UHFFFAOYSA-N
XLogP0.11
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The IUPAC name of 1-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone (CID 146134124) is 1-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone is Cc1cc(CC(=O)N2CC(O)(C(F)F)C2)n(C)n1.
What is the InChIKey of 1-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The InChIKey is FWWBHCZIOIHUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c1-7-3-8(15(2)14-7)4-9(17)16-5-11(18,6-16)10(12)13/h3,10,18H,4-6H2,1-2H3.
What are the key properties of 1-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone?
1-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone has a molecular weight of 259.26 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone is sourced from PubChem (CID 146134124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).