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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Related Compounds

1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 2735377
3-Methyl-1-(2-thienylmethyl)-1H-pyrazol-5-amine
CID 3154161
1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 16228641
1-methyl-3-(thiophen-3-yl)-1H-pyrazol-5-amine
CID 33783468
3-(5-bromothiophen-2-yl)-1-methyl-1H-pyrazol-5-amine
CID 43158864
1-(1,1-dioxidotetrahydro-3-thienyl)-3-(2-thienyl)-1H-pyrazol-5-amine
CID 43090486
5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-2H-triazol-4-amine
CID 170148141
5-Methyl-2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-amine
CID 61733741
4-fluoro-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
CID 4465188
2,3,4-trifluoro-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
CID 5015845
3-(3-Fluorothiophen-2-yl)-1-methyl-1H-pyrazol-5-amine
CID 130594195
4-fluoro-1-methyl-3-(5-methylthiophen-2-yl)-1H-pyrazol-5-amine
CID 165498969

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).