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

C12H13N3S2 — CID 80745978

IUPAC4-ethyl-1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine
SMILESCCc1c(-c2cc3sccc3s2)nn(C)c1N
InChIInChI=1S/C12H13N3S2/c1-3-7-11(14-15(2)12(7)13)10-6-9-8(17-10)4-5-16-9/h4-6H,3,13H2,1-2H3
InChIKeyHEQQKPUJBFOQPZ-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.51
Rot. Bonds2

About 4-ethyl-1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine

4-ethyl-1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine (PubChem CID 80745978) has the molecular formula C12H13N3S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-ethyl-1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-ethyl-1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine
PubChem CID80745978
Molecular FormulaC12H13N3S2
Molecular Weight263.39 g/mol
Exact Mass263.06
IUPAC Name4-ethyl-1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine
SMILESCCc1c(-c2cc3sccc3s2)nn(C)c1N
InChIInChI=1S/C12H13N3S2/c1-3-7-11(14-15(2)12(7)13)10-6-9-8(17-10)4-5-16-9/h4-6H,3,13H2,1-2H3
InChIKeyHEQQKPUJBFOQPZ-UHFFFAOYSA-N
XLogP3.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine?
The IUPAC name of 4-ethyl-1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine (CID 80745978) is 4-ethyl-1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine.
What is the SMILES notation for 4-ethyl-1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine?
The canonical SMILES for 4-ethyl-1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine is CCc1c(-c2cc3sccc3s2)nn(C)c1N.
What is the InChIKey of 4-ethyl-1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine?
The InChIKey is HEQQKPUJBFOQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S2/c1-3-7-11(14-15(2)12(7)13)10-6-9-8(17-10)4-5-16-9/h4-6H,3,13H2,1-2H3.
What are the key properties of 4-ethyl-1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine?
4-ethyl-1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine has a molecular weight of 263.39 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine is sourced from PubChem (CID 80745978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).