3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol

C13H14N2OS2 — CID 103027895

IUPAC3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol
SMILESCn1cc(CCC(O)c2cc3sccc3s2)cn1
InChIInChI=1S/C13H14N2OS2/c1-15-8-9(7-14-15)2-3-10(16)12-6-13-11(18-12)4-5-17-13/h4-8,10,16H,2-3H2,1H3
InChIKeyAZDBBHWWYOSJGI-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.36
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol

3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol (PubChem CID 103027895) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol
PubChem CID103027895
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC Name3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol
SMILESCn1cc(CCC(O)c2cc3sccc3s2)cn1
InChIInChI=1S/C13H14N2OS2/c1-15-8-9(7-14-15)2-3-10(16)12-6-13-11(18-12)4-5-17-13/h4-8,10,16H,2-3H2,1H3
InChIKeyAZDBBHWWYOSJGI-UHFFFAOYSA-N
XLogP3.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Chlorothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027765
3-(1-Methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol
CID 103027810
1-(5-Bromo-4-methylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027876
1-(3-Ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027918
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103028006
1-(6-Fluoro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027812
1-(5-Fluoro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027848
(5-Fluoro-1-benzothiophen-2-yl)-(1-propylpyrazol-4-yl)methanol
CID 105080761
(1-Ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 105081817
1-(5-Fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol
CID 105082723
2-(1-Ethylpyrazol-4-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105082837
(5-Fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
CID 113678258

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol (CID 103027895) is 3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol is Cn1cc(CCC(O)c2cc3sccc3s2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol?
The InChIKey is AZDBBHWWYOSJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-15-8-9(7-14-15)2-3-10(16)12-6-13-11(18-12)4-5-17-13/h4-8,10,16H,2-3H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol?
3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol is sourced from PubChem (CID 103027895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).