1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine

C10H9N3S2 — CID 80745878

IUPAC1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine
SMILESCn1nc(-c2cc3sccc3s2)cc1N
InChIInChI=1S/C10H9N3S2/c1-13-10(11)4-6(12-13)8-5-9-7(15-8)2-3-14-9/h2-5H,11H2,1H3
InChIKeyLYSVEKCFJXKAEP-UHFFFAOYSA-N
MW235.34 g/mol
LogP2.95
Rot. Bonds1

About 1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine

1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine (PubChem CID 80745878) has the molecular formula C10H9N3S2 and a molecular weight of 235.34 g/mol. Its IUPAC name is 1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine
PubChem CID80745878
Molecular FormulaC10H9N3S2
Molecular Weight235.34 g/mol
Exact Mass235.02
IUPAC Name1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine
SMILESCn1nc(-c2cc3sccc3s2)cc1N
InChIInChI=1S/C10H9N3S2/c1-13-10(11)4-6(12-13)8-5-9-7(15-8)2-3-14-9/h2-5H,11H2,1H3
InChIKeyLYSVEKCFJXKAEP-UHFFFAOYSA-N
XLogP2.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine?
The IUPAC name of 1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine (CID 80745878) is 1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine?
The canonical SMILES for 1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine is Cn1nc(-c2cc3sccc3s2)cc1N.
What is the InChIKey of 1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine?
The InChIKey is LYSVEKCFJXKAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S2/c1-13-10(11)4-6(12-13)8-5-9-7(15-8)2-3-14-9/h2-5H,11H2,1H3.
What are the key properties of 1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine?
1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine has a molecular weight of 235.34 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine is sourced from PubChem (CID 80745878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).