2-ethoxy-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone

C10H16N2O2 — CID 102811790

IUPAC2-ethoxy-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone
SMILESCCOCC(=O)c1cn(C)nc1CC
InChIInChI=1S/C10H16N2O2/c1-4-9-8(6-12(3)11-9)10(13)7-14-5-2/h6H,4-5,7H2,1-3H3
InChIKeyGIOHCIDHXQREAI-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.20
Rot. Bonds5

About 2-ethoxy-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone

2-ethoxy-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone (PubChem CID 102811790) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-ethoxy-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-ethoxy-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone
PubChem CID102811790
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-ethoxy-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone
SMILESCCOCC(=O)c1cn(C)nc1CC
InChIInChI=1S/C10H16N2O2/c1-4-9-8(6-12(3)11-9)10(13)7-14-5-2/h6H,4-5,7H2,1-3H3
InChIKeyGIOHCIDHXQREAI-UHFFFAOYSA-N
XLogP1.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-1-(3-ethyl-1-methylpyrazol-4-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-ethoxy-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-ethoxy-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone (CID 102811790) is 2-ethoxy-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-ethoxy-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-ethoxy-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone is CCOCC(=O)c1cn(C)nc1CC.
What is the InChIKey of 2-ethoxy-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone?
The InChIKey is GIOHCIDHXQREAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-9-8(6-12(3)11-9)10(13)7-14-5-2/h6H,4-5,7H2,1-3H3.
What are the key properties of 2-ethoxy-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone?
2-ethoxy-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone has a molecular weight of 196.25 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 102811790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).