2-(3,3-difluorocyclopentyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone

C13H18F2N2O — CID 114225625

IUPAC2-(3,3-difluorocyclopentyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone
SMILESCCc1cc(C(=O)CC2CCC(F)(F)C2)n(C)n1
InChIInChI=1S/C13H18F2N2O/c1-3-10-7-11(17(2)16-10)12(18)6-9-4-5-13(14,15)8-9/h7,9H,3-6,8H2,1-2H3
InChIKeySONGRNLJECCESX-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.99
Rot. Bonds4

About 2-(3,3-difluorocyclopentyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone

2-(3,3-difluorocyclopentyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone (PubChem CID 114225625) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone
PubChem CID114225625
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-(3,3-difluorocyclopentyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone
SMILESCCc1cc(C(=O)CC2CCC(F)(F)C2)n(C)n1
InChIInChI=1S/C13H18F2N2O/c1-3-10-7-11(17(2)16-10)12(18)6-9-4-5-13(14,15)8-9/h7,9H,3-6,8H2,1-2H3
InChIKeySONGRNLJECCESX-UHFFFAOYSA-N
XLogP2.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,3-difluorocyclopentyl)-1-(3-ethyl-1-methylpyrazol-5-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 2-(3,3-difluorocyclopentyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone (CID 114225625) is 2-(3,3-difluorocyclopentyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone is CCc1cc(C(=O)CC2CCC(F)(F)C2)n(C)n1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The InChIKey is SONGRNLJECCESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-3-10-7-11(17(2)16-10)12(18)6-9-4-5-13(14,15)8-9/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
2-(3,3-difluorocyclopentyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone has a molecular weight of 256.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone is sourced from PubChem (CID 114225625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).