2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone

C13H16N2OS — CID 114978839

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone
SMILESCCc1ccsc1C(=O)Cc1cc(C)nn1C
InChIInChI=1S/C13H16N2OS/c1-4-10-5-6-17-13(10)12(16)8-11-7-9(2)14-15(11)3/h5-7H,4,8H2,1-3H3
InChIKeyXVVSFQWUPGTXOG-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.78
Rot. Bonds4

About 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone

2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone (PubChem CID 114978839) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone
PubChem CID114978839
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone
SMILESCCc1ccsc1C(=O)Cc1cc(C)nn1C
InChIInChI=1S/C13H16N2OS/c1-4-10-5-6-17-13(10)12(16)8-11-7-9(2)14-15(11)3/h5-7H,4,8H2,1-3H3
InChIKeyXVVSFQWUPGTXOG-UHFFFAOYSA-N
XLogP2.78
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanone
CID 115779604
1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601573
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 104996146
2-(2,5-dimethylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanone
CID 105108396
1-(2-tert-butylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114979035
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone
CID 114978856
5-chloro-1-(2,5-dimethylpyrazol-3-yl)pentan-2-one
CID 66044438
1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 79078418
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone
CID 115789405
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105108355
1-(2,4-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978939
3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]thiophene-2-carboxylic acid
CID 63639006

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone (CID 114978839) is 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone is CCc1ccsc1C(=O)Cc1cc(C)nn1C.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone?
The InChIKey is XVVSFQWUPGTXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-4-10-5-6-17-13(10)12(16)8-11-7-9(2)14-15(11)3/h5-7H,4,8H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone?
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone has a molecular weight of 248.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 114978839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).