1-(3,3-difluoroazetidin-1-yl)-2-pyrazol-1-ylethanone

C8H9F2N3O — CID 122269346

IUPAC1-(3,3-difluoroazetidin-1-yl)-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CC(F)(F)C1
InChIInChI=1S/C8H9F2N3O/c9-8(10)5-12(6-8)7(14)4-13-3-1-2-11-13/h1-3H,4-6H2
InChIKeyBQPXPFCXHYFOEG-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.36
Rot. Bonds2

About 1-(3,3-difluoroazetidin-1-yl)-2-pyrazol-1-ylethanone

1-(3,3-difluoroazetidin-1-yl)-2-pyrazol-1-ylethanone (PubChem CID 122269346) has the molecular formula C8H9F2N3O and a molecular weight of 201.18 g/mol. Its IUPAC name is 1-(3,3-difluoroazetidin-1-yl)-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-(3,3-difluoroazetidin-1-yl)-2-pyrazol-1-ylethanone
PubChem CID122269346
Molecular FormulaC8H9F2N3O
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name1-(3,3-difluoroazetidin-1-yl)-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CC(F)(F)C1
InChIInChI=1S/C8H9F2N3O/c9-8(10)5-12(6-8)7(14)4-13-3-1-2-11-13/h1-3H,4-6H2
InChIKeyBQPXPFCXHYFOEG-UHFFFAOYSA-N
XLogP0.36
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,3-difluoroazetidin-1-yl)-2-pyrazol-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-2-pyrazol-1-ylethanone?
The IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-2-pyrazol-1-ylethanone (CID 122269346) is 1-(3,3-difluoroazetidin-1-yl)-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-(3,3-difluoroazetidin-1-yl)-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-(3,3-difluoroazetidin-1-yl)-2-pyrazol-1-ylethanone is O=C(Cn1cccn1)N1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoroazetidin-1-yl)-2-pyrazol-1-ylethanone?
The InChIKey is BQPXPFCXHYFOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O/c9-8(10)5-12(6-8)7(14)4-13-3-1-2-11-13/h1-3H,4-6H2.
What are the key properties of 1-(3,3-difluoroazetidin-1-yl)-2-pyrazol-1-ylethanone?
1-(3,3-difluoroazetidin-1-yl)-2-pyrazol-1-ylethanone has a molecular weight of 201.18 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoroazetidin-1-yl)-2-pyrazol-1-ylethanone is sourced from PubChem (CID 122269346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).