2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanol

C15H17BrN2OS2 — CID 115816337

IUPAC2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanol
SMILESCCc1nn(CC)c(CC(O)c2cc3sccc3s2)c1Br
InChIInChI=1S/C15H17BrN2OS2/c1-3-9-15(16)10(18(4-2)17-9)7-11(19)13-8-14-12(21-13)5-6-20-14/h5-6,8,11,19H,3-4,7H2,1-2H3
InChIKeyRUECANCBTPFHPJ-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.78
Rot. Bonds5

About 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanol

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanol (PubChem CID 115816337) has the molecular formula C15H17BrN2OS2 and a molecular weight of 385.35 g/mol. Its IUPAC name is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanol.

Molecular Properties

Compound Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanol
PubChem CID115816337
Molecular FormulaC15H17BrN2OS2
Molecular Weight385.35 g/mol
Exact Mass384.00
IUPAC Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanol
SMILESCCc1nn(CC)c(CC(O)c2cc3sccc3s2)c1Br
InChIInChI=1S/C15H17BrN2OS2/c1-3-9-15(16)10(18(4-2)17-9)7-11(19)13-8-14-12(21-13)5-6-20-14/h5-6,8,11,19H,3-4,7H2,1-2H3
InChIKeyRUECANCBTPFHPJ-UHFFFAOYSA-N
XLogP4.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol
CID 115816341
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 104994528
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethanol
CID 115816293
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978492
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222593
1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol
CID 107947613
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol
CID 106693847
1-thieno[3,2-b]thiophen-5-ylbutan-1-ol
CID 115780945
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 105002408
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanol
CID 115826177
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethanamine
CID 105002359
1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-ethylhexane-2,3-diol
CID 103459826

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanol?
The IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanol (CID 115816337) is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanol.
What is the SMILES notation for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanol?
The canonical SMILES for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanol is CCc1nn(CC)c(CC(O)c2cc3sccc3s2)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanol?
The InChIKey is RUECANCBTPFHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS2/c1-3-9-15(16)10(18(4-2)17-9)7-11(19)13-8-14-12(21-13)5-6-20-14/h5-6,8,11,19H,3-4,7H2,1-2H3.
What are the key properties of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanol?
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanol has a molecular weight of 385.35 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanol is sourced from PubChem (CID 115816337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).