1-(5-ethyl-1,3-dimethylpyrazol-4-yl)ethanone

C9H14N2O — CID 143368389

IUPAC1-(5-ethyl-1,3-dimethylpyrazol-4-yl)ethanone
SMILESCCc1c(C(C)=O)c(C)nn1C
InChIInChI=1S/C9H14N2O/c1-5-8-9(7(3)12)6(2)10-11(8)4/h5H2,1-4H3
InChIKeyLMKNUWJHEVUDCT-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.49
Rot. Bonds2

About 1-(5-ethyl-1,3-dimethylpyrazol-4-yl)ethanone

1-(5-ethyl-1,3-dimethylpyrazol-4-yl)ethanone (PubChem CID 143368389) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(5-ethyl-1,3-dimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-1,3-dimethylpyrazol-4-yl)ethanone
PubChem CID143368389
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(5-ethyl-1,3-dimethylpyrazol-4-yl)ethanone
SMILESCCc1c(C(C)=O)c(C)nn1C
InChIInChI=1S/C9H14N2O/c1-5-8-9(7(3)12)6(2)10-11(8)4/h5H2,1-4H3
InChIKeyLMKNUWJHEVUDCT-UHFFFAOYSA-N
XLogP1.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-ethyl-1,3-dimethylpyrazol-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

Related Compounds

5-acetyl-4-amino-2,6-dimethylpyridazin-3-one
CID 3824593
ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid
CID 170618736
1-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanone
CID 62726492
(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 113222398
N-(2-chloroethyl)-N-ethyl-1,3,5-trimethylpyrazole-4-carboxamide
CID 63395629
1,3-dimethyl-5-[methyl(propyl)amino]pyrazole-4-carboxylic acid
CID 43271415
4-acetyl-2,5-diethyl-1-methylpyrrole-3-sulfonamide
CID 160802548
4-ethyl-1,3-dimethylpyrazole-5-carboxylic acid
CID 83695194
1-(5-ethyl-1-methylpyrazol-4-yl)ethanone
CID 23005694
1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide
CID 143383450
3,5-diethyl-1,4-dimethylpyrazole
CID 44720131
1-(3,5-dimethyl-1-phosphanylpyrazol-4-yl)ethanone
CID 90180455

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3-dimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(5-ethyl-1,3-dimethylpyrazol-4-yl)ethanone (CID 143368389) is 1-(5-ethyl-1,3-dimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-ethyl-1,3-dimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(5-ethyl-1,3-dimethylpyrazol-4-yl)ethanone is CCc1c(C(C)=O)c(C)nn1C.
What is the InChIKey of 1-(5-ethyl-1,3-dimethylpyrazol-4-yl)ethanone?
The InChIKey is LMKNUWJHEVUDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-5-8-9(7(3)12)6(2)10-11(8)4/h5H2,1-4H3.
What are the key properties of 1-(5-ethyl-1,3-dimethylpyrazol-4-yl)ethanone?
1-(5-ethyl-1,3-dimethylpyrazol-4-yl)ethanone has a molecular weight of 166.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3-dimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 143368389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).