1-[2-(1-fluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one

C11H17FN2O — CID 168852051

IUPAC1-[2-(1-fluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one
SMILESCC(CF)n1nccc1C(=O)C(C)(C)C
InChIInChI=1S/C11H17FN2O/c1-8(7-12)14-9(5-6-13-14)10(15)11(2,3)4/h5-6,8H,7H2,1-4H3
InChIKeyQWHHCYMGXSLIEJ-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.64
Rot. Bonds3

About 1-[2-(1-fluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one

1-[2-(1-fluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one (PubChem CID 168852051) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-[2-(1-fluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-(1-fluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one
PubChem CID168852051
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name1-[2-(1-fluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one
SMILESCC(CF)n1nccc1C(=O)C(C)(C)C
InChIInChI=1S/C11H17FN2O/c1-8(7-12)14-9(5-6-13-14)10(15)11(2,3)4/h5-6,8H,7H2,1-4H3
InChIKeyQWHHCYMGXSLIEJ-UHFFFAOYSA-N
XLogP2.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1-fluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one 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-[2-(1-fluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-(1-fluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one (CID 168852051) is 1-[2-(1-fluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-(1-fluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-(1-fluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one is CC(CF)n1nccc1C(=O)C(C)(C)C.
What is the InChIKey of 1-[2-(1-fluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one?
The InChIKey is QWHHCYMGXSLIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-8(7-12)14-9(5-6-13-14)10(15)11(2,3)4/h5-6,8H,7H2,1-4H3.
What are the key properties of 1-[2-(1-fluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one?
1-[2-(1-fluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one has a molecular weight of 212.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-fluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 168852051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).