2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanone

C13H16N2O2S — CID 115779604

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanone
SMILESCCn1nc(C)cc1CC(=O)c1sccc1OC
InChIInChI=1S/C13H16N2O2S/c1-4-15-10(7-9(2)14-15)8-11(16)13-12(17-3)5-6-18-13/h5-7H,4,8H2,1-3H3
InChIKeyLJYZREDZXDSOPB-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.71
Rot. Bonds5

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

2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanone (PubChem CID 115779604) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanone
PubChem CID115779604
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanone
SMILESCCn1nc(C)cc1CC(=O)c1sccc1OC
InChIInChI=1S/C13H16N2O2S/c1-4-15-10(7-9(2)14-15)8-11(16)13-12(17-3)5-6-18-13/h5-7H,4,8H2,1-3H3
InChIKeyLJYZREDZXDSOPB-UHFFFAOYSA-N
XLogP2.71
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-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

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethanone
CID 114980597
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone
CID 114978839
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 105002642
2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81122443
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115779721
1-(3-methoxythiophen-2-yl)butan-1-one
CID 81118922
2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81122836
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethanone
CID 115779560
1-(2,5-dimethylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 115779644
4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 115345651
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-4-yl)ethanone
CID 105111985
3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one
CID 116560245

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanone?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanone (CID 115779604) is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanone?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanone is CCn1nc(C)cc1CC(=O)c1sccc1OC.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanone?
The InChIKey is LJYZREDZXDSOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-4-15-10(7-9(2)14-15)8-11(16)13-12(17-3)5-6-18-13/h5-7H,4,8H2,1-3H3.
What are the key properties of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanone?
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanone has a molecular weight of 264.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanone is sourced from PubChem (CID 115779604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).