2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone

C16H20N2OS — CID 106847846

IUPAC2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone
SMILESCCSc1ccc(C(=O)Cc2cc(CC)nn2C)cc1
InChIInChI=1S/C16H20N2OS/c1-4-13-10-14(18(3)17-13)11-16(19)12-6-8-15(9-7-12)20-5-2/h6-10H,4-5,11H2,1-3H3
InChIKeyOWTVEQPRRNGRJI-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.52
Rot. Bonds6

About 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone

2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone (PubChem CID 106847846) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone
PubChem CID106847846
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone
SMILESCCSc1ccc(C(=O)Cc2cc(CC)nn2C)cc1
InChIInChI=1S/C16H20N2OS/c1-4-13-10-14(18(3)17-13)11-16(19)12-6-8-15(9-7-12)20-5-2/h6-10H,4-5,11H2,1-3H3
InChIKeyOWTVEQPRRNGRJI-UHFFFAOYSA-N
XLogP3.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 81491473
1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116601864
1-(2,3-dihydro-1H-indol-6-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116611973
1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 105109982
2-bromo-1-(4-ethylsulfanylphenyl)ethanone
CID 12862101
2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848103
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 113329351
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 114980916
2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848111
1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 105109961
1-(4-ethylsulfanylphenyl)butan-1-one
CID 82052811
1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one
CID 106677524

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone (CID 106847846) is 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone is CCSc1ccc(C(=O)Cc2cc(CC)nn2C)cc1.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone?
The InChIKey is OWTVEQPRRNGRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-4-13-10-14(18(3)17-13)11-16(19)12-6-8-15(9-7-12)20-5-2/h6-10H,4-5,11H2,1-3H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone?
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone has a molecular weight of 288.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone is sourced from PubChem (CID 106847846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).