2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol

C17H24N2OS — CID 115806455

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
SMILESCCC(C)n1ccc(CC(O)c2cc3c(s2)CCCC3)n1
InChIInChI=1S/C17H24N2OS/c1-3-12(2)19-9-8-14(18-19)11-15(20)17-10-13-6-4-5-7-16(13)21-17/h8-10,12,15,20H,3-7,11H2,1-2H3
InChIKeyCQISNZIFOGJESX-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.07
Rot. Bonds5

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol

2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol (PubChem CID 115806455) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
PubChem CID115806455
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
SMILESCCC(C)n1ccc(CC(O)c2cc3c(s2)CCCC3)n1
InChIInChI=1S/C17H24N2OS/c1-3-12(2)19-9-8-14(18-19)11-15(20)17-10-13-6-4-5-7-16(13)21-17/h8-10,12,15,20H,3-7,11H2,1-2H3
InChIKeyCQISNZIFOGJESX-UHFFFAOYSA-N
XLogP4.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol with MolForge

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol
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2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol
CID 64785041
2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 115788325
2-(3,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 114980354
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CID 55150651
2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol
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CID 115806450
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol
CID 115826146
1-[2-(1-butan-2-ylpyrazol-3-yl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448497
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Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol (CID 115806455) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol is CCC(C)n1ccc(CC(O)c2cc3c(s2)CCCC3)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
The InChIKey is CQISNZIFOGJESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-12(2)19-9-8-14(18-19)11-15(20)17-10-13-6-4-5-7-16(13)21-17/h8-10,12,15,20H,3-7,11H2,1-2H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol has a molecular weight of 304.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 115806455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).