2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol

C15H15FN2OS — CID 105082837

IUPAC2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
SMILESCCn1cc(CC(O)c2cc3cc(F)ccc3s2)cn1
InChIInChI=1S/C15H15FN2OS/c1-2-18-9-10(8-17-18)5-13(19)15-7-11-6-12(16)3-4-14(11)20-15/h3-4,6-9,13,19H,2,5H2,1H3
InChIKeyQQPVBCALVFYBLN-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.53
Rot. Bonds4

About 2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol

2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol (PubChem CID 105082837) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
PubChem CID105082837
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
SMILESCCn1cc(CC(O)c2cc3cc(F)ccc3s2)cn1
InChIInChI=1S/C15H15FN2OS/c1-2-18-9-10(8-17-18)5-13(19)15-7-11-6-12(16)3-4-14(11)20-15/h3-4,6-9,13,19H,2,5H2,1H3
InChIKeyQQPVBCALVFYBLN-UHFFFAOYSA-N
XLogP3.53
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperidin-4-yl)(2-thienyl)methanol
CID 16190164
2-[Benzyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-thiophen-2-ylethanol
CID 75425683
1-(1-benzothiophen-3-yl)-2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol
CID 15604815
1-(1-benzothiophen-3-yl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol
CID 66919349
(1R)-1-[3-fluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanol
CID 55240061
(1R)-1-[2-fluoro-6-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanol
CID 55240252
4-Fluoro-3-[(4-methylpyrazol-1-yl)methyl]-1-benzothiophene-2-carboxylic acid
CID 60872719
(1S)-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanol
CID 63835113
1-[3-Fluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanol
CID 63835203
1-[2-Fluoro-6-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanol
CID 63835537
[5-Fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol
CID 63835709
1-[5-Fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanol
CID 63836000

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol (CID 105082837) is 2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol is CCn1cc(CC(O)c2cc3cc(F)ccc3s2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
The InChIKey is QQPVBCALVFYBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-2-18-9-10(8-17-18)5-13(19)15-7-11-6-12(16)3-4-14(11)20-15/h3-4,6-9,13,19H,2,5H2,1H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol has a molecular weight of 290.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 105082837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).