2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol

C13H18N2OS — CID 64785813

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol
SMILESCCC(C)n1ccc(CC(O)c2ccsc2)n1
InChIInChI=1S/C13H18N2OS/c1-3-10(2)15-6-4-12(14-15)8-13(16)11-5-7-17-9-11/h4-7,9-10,13,16H,3,8H2,1-2H3
InChIKeyHRODULDOBHWBRC-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.19
Rot. Bonds5

About 2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol

2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol (PubChem CID 64785813) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol
PubChem CID64785813
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol
SMILESCCC(C)n1ccc(CC(O)c2ccsc2)n1
InChIInChI=1S/C13H18N2OS/c1-3-10(2)15-6-4-12(14-15)8-13(16)11-5-7-17-9-11/h4-7,9-10,13,16H,3,8H2,1-2H3
InChIKeyHRODULDOBHWBRC-UHFFFAOYSA-N
XLogP3.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol
CID 64785041
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105103217
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanol
CID 115806434
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol
CID 104800715
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chloro-3-fluorophenyl)ethanol
CID 64784273
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 64785433
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115806384
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,4,6-trifluorophenyl)ethanol
CID 115806450
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 64785243
1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol
CID 64785469
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
CID 105103273
1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanol
CID 102830097

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol (CID 64785813) is 2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol is CCC(C)n1ccc(CC(O)c2ccsc2)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol?
The InChIKey is HRODULDOBHWBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-10(2)15-6-4-12(14-15)8-13(16)11-5-7-17-9-11/h4-7,9-10,13,16H,3,8H2,1-2H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol?
2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol has a molecular weight of 250.37 g/mol, XLogP of 3.19, 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-thiophen-3-ylethanol is sourced from PubChem (CID 64785813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).