2-(5-ethylthiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanol

C11H14N2OS — CID 165472767

IUPAC2-(5-ethylthiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanol
SMILESCCc1ccc(CC(O)c2cn[nH]c2)s1
InChIInChI=1S/C11H14N2OS/c1-2-9-3-4-10(15-9)5-11(14)8-6-12-13-7-8/h3-4,6-7,11,14H,2,5H2,1H3,(H,12,13)
InChIKeyUWXFFSYTXVXVLO-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.31
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanol

2-(5-ethylthiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanol (PubChem CID 165472767) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanol
PubChem CID165472767
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanol
SMILESCCc1ccc(CC(O)c2cn[nH]c2)s1
InChIInChI=1S/C11H14N2OS/c1-2-9-3-4-10(15-9)5-11(14)8-6-12-13-7-8/h3-4,6-7,11,14H,2,5H2,1H3,(H,12,13)
InChIKeyUWXFFSYTXVXVLO-UHFFFAOYSA-N
XLogP2.31
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 62606842
1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 62606304
1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 115786511
1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 79583541
2-(5-ethylthiophen-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
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CID 104504624
2-(5-ethylthiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105087638
2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine
CID 130573212
1-(5-chlorofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 106693642
2-[5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]thiophen-2-yl]acetic acid
CID 114158445
2,5-diethylthiophene
CID 521294
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CID 107978250

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanol?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanol (CID 165472767) is 2-(5-ethylthiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanol?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanol is CCc1ccc(CC(O)c2cn[nH]c2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanol?
The InChIKey is UWXFFSYTXVXVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-2-9-3-4-10(15-9)5-11(14)8-6-12-13-7-8/h3-4,6-7,11,14H,2,5H2,1H3,(H,12,13).
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanol?
2-(5-ethylthiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanol has a molecular weight of 222.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanol is sourced from PubChem (CID 165472767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).