5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-1H-pyrazole

C11H10N2S2 — CID 2820285

IUPAC5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-1H-pyrazole
SMILESCc1csc2sc(-c3ccn[nH]3)c(C)c12
InChIInChI=1S/C11H10N2S2/c1-6-5-14-11-9(6)7(2)10(15-11)8-3-4-12-13-8/h3-5H,1-2H3,(H,12,13)
InChIKeyGPOBCYOWVVZNOT-UHFFFAOYSA-N
MW234.35 g/mol
LogP3.97
Rot. Bonds1

About 5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-1H-pyrazole

5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-1H-pyrazole (PubChem CID 2820285) has the molecular formula C11H10N2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-1H-pyrazole
PubChem CID2820285
Molecular FormulaC11H10N2S2
Molecular Weight234.35 g/mol
Exact Mass234.03
IUPAC Name5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-1H-pyrazole
SMILESCc1csc2sc(-c3ccn[nH]3)c(C)c12
InChIInChI=1S/C11H10N2S2/c1-6-5-14-11-9(6)7(2)10(15-11)8-3-4-12-13-8/h3-5H,1-2H3,(H,12,13)
InChIKeyGPOBCYOWVVZNOT-UHFFFAOYSA-N
XLogP3.97
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-1H-pyrazole?
The IUPAC name of 5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-1H-pyrazole (CID 2820285) is 5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-1H-pyrazole.
What is the SMILES notation for 5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-1H-pyrazole?
The canonical SMILES for 5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-1H-pyrazole is Cc1csc2sc(-c3ccn[nH]3)c(C)c12.
What is the InChIKey of 5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-1H-pyrazole?
The InChIKey is GPOBCYOWVVZNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S2/c1-6-5-14-11-9(6)7(2)10(15-11)8-3-4-12-13-8/h3-5H,1-2H3,(H,12,13).
What are the key properties of 5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-1H-pyrazole?
5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-1H-pyrazole has a molecular weight of 234.35 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-1H-pyrazole is sourced from PubChem (CID 2820285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).