(2-ethylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanone

C12H10N2OS2 — CID 114972399

IUPAC(2-ethylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanone
SMILESCCn1nccc1C(=O)c1cc2sccc2s1
InChIInChI=1S/C12H10N2OS2/c1-2-14-8(3-5-13-14)12(15)11-7-10-9(17-11)4-6-16-10/h3-7H,2H2,1H3
InChIKeyZCFJYNUZTCCPFH-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.41
Rot. Bonds3

About (2-ethylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanone

(2-ethylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanone (PubChem CID 114972399) has the molecular formula C12H10N2OS2 and a molecular weight of 262.36 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanone
PubChem CID114972399
Molecular FormulaC12H10N2OS2
Molecular Weight262.36 g/mol
Exact Mass262.02
IUPAC Name(2-ethylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanone
SMILESCCn1nccc1C(=O)c1cc2sccc2s1
InChIInChI=1S/C12H10N2OS2/c1-2-14-8(3-5-13-14)12(15)11-7-10-9(17-11)4-6-16-10/h3-7H,2H2,1H3
InChIKeyZCFJYNUZTCCPFH-UHFFFAOYSA-N
XLogP3.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanone (CID 114972399) is (2-ethylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanone is CCn1nccc1C(=O)c1cc2sccc2s1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanone?
The InChIKey is ZCFJYNUZTCCPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS2/c1-2-14-8(3-5-13-14)12(15)11-7-10-9(17-11)4-6-16-10/h3-7H,2H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanone?
(2-ethylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanone has a molecular weight of 262.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanone is sourced from PubChem (CID 114972399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).