1-[2-(2,2-difluoroethyl)pyrazol-3-yl]ethanone

C7H8F2N2O — CID 84654841

IUPAC1-[2-(2,2-difluoroethyl)pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccnn1CC(F)F
InChIInChI=1S/C7H8F2N2O/c1-5(12)6-2-3-10-11(6)4-7(8)9/h2-3,7H,4H2,1H3
InChIKeyWFUCTCODWBALKF-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.35
Rot. Bonds3

About 1-[2-(2,2-difluoroethyl)pyrazol-3-yl]ethanone

1-[2-(2,2-difluoroethyl)pyrazol-3-yl]ethanone (PubChem CID 84654841) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethyl)pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethyl)pyrazol-3-yl]ethanone
PubChem CID84654841
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name1-[2-(2,2-difluoroethyl)pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccnn1CC(F)F
InChIInChI=1S/C7H8F2N2O/c1-5(12)6-2-3-10-11(6)4-7(8)9/h2-3,7H,4H2,1H3
InChIKeyWFUCTCODWBALKF-UHFFFAOYSA-N
XLogP1.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,2-difluoroethyl)pyrazol-3-yl]ethanone 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-(2,2-difluoroethyl)pyrazol-3-yl]ethanone?
The IUPAC name of 1-[2-(2,2-difluoroethyl)pyrazol-3-yl]ethanone (CID 84654841) is 1-[2-(2,2-difluoroethyl)pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[2-(2,2-difluoroethyl)pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[2-(2,2-difluoroethyl)pyrazol-3-yl]ethanone is CC(=O)c1ccnn1CC(F)F.
What is the InChIKey of 1-[2-(2,2-difluoroethyl)pyrazol-3-yl]ethanone?
The InChIKey is WFUCTCODWBALKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c1-5(12)6-2-3-10-11(6)4-7(8)9/h2-3,7H,4H2,1H3.
What are the key properties of 1-[2-(2,2-difluoroethyl)pyrazol-3-yl]ethanone?
1-[2-(2,2-difluoroethyl)pyrazol-3-yl]ethanone has a molecular weight of 174.15 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoroethyl)pyrazol-3-yl]ethanone is sourced from PubChem (CID 84654841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).