1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone

C15H14N2OS — CID 102811827

IUPAC1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone
SMILESCCc1nn(C)cc1C(=O)c1cccc2ccsc12
InChIInChI=1S/C15H14N2OS/c1-3-13-12(9-17(2)16-13)14(18)11-6-4-5-10-7-8-19-15(10)11/h4-9H,3H2,1-2H3
InChIKeyVFLGAJIWFUJHFO-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.43
Rot. Bonds3

About 1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone

1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone (PubChem CID 102811827) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone
PubChem CID102811827
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone
SMILESCCc1nn(C)cc1C(=O)c1cccc2ccsc12
InChIInChI=1S/C15H14N2OS/c1-3-13-12(9-17(2)16-13)14(18)11-6-4-5-10-7-8-19-15(10)11/h4-9H,3H2,1-2H3
InChIKeyVFLGAJIWFUJHFO-UHFFFAOYSA-N
XLogP3.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone?
The IUPAC name of 1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone (CID 102811827) is 1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for 1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone?
The canonical SMILES for 1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone is CCc1nn(C)cc1C(=O)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone?
The InChIKey is VFLGAJIWFUJHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-3-13-12(9-17(2)16-13)14(18)11-6-4-5-10-7-8-19-15(10)11/h4-9H,3H2,1-2H3.
What are the key properties of 1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone?
1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone has a molecular weight of 270.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 102811827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).