2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanol

C14H20N2O2S — CID 115806434

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanol
SMILESCCC(C)n1ccc(CC(O)c2sccc2OC)n1
InChIInChI=1S/C14H20N2O2S/c1-4-10(2)16-7-5-11(15-16)9-12(17)14-13(18-3)6-8-19-14/h5-8,10,12,17H,4,9H2,1-3H3
InChIKeyXJVRZCFIUUAEDO-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.20
Rot. Bonds6

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanol

2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanol (PubChem CID 115806434) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanol
PubChem CID115806434
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanol
SMILESCCC(C)n1ccc(CC(O)c2sccc2OC)n1
InChIInChI=1S/C14H20N2O2S/c1-4-10(2)16-7-5-11(15-16)9-12(17)14-13(18-3)6-8-19-14/h5-8,10,12,17H,4,9H2,1-3H3
InChIKeyXJVRZCFIUUAEDO-UHFFFAOYSA-N
XLogP3.20
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanol with MolForge

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Related Compounds

[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105312638
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 64785433
2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol
CID 64785813
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 104989680
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
CID 105103273
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol
CID 64785041
[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine
CID 105312536
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,4,6-trifluorophenyl)ethanol
CID 115806450
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115806312
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol
CID 106859288
1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol
CID 64785469
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol
CID 104800715

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanol?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanol (CID 115806434) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanol.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanol?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanol is CCC(C)n1ccc(CC(O)c2sccc2OC)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanol?
The InChIKey is XJVRZCFIUUAEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-10(2)16-7-5-11(15-16)9-12(17)14-13(18-3)6-8-19-14/h5-8,10,12,17H,4,9H2,1-3H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanol?
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanol has a molecular weight of 280.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanol is sourced from PubChem (CID 115806434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).