1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethanol

C15H16N2OS — CID 63893599

IUPAC1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethanol
SMILESCCn1cc(CC(O)c2csc3ccccc23)cn1
InChIInChI=1S/C15H16N2OS/c1-2-17-9-11(8-16-17)7-14(18)13-10-19-15-6-4-3-5-12(13)15/h3-6,8-10,14,18H,2,7H2,1H3
InChIKeyOPAFBISLPVKSOK-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.39
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethanol

1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethanol (PubChem CID 63893599) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethanol
PubChem CID63893599
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethanol
SMILESCCn1cc(CC(O)c2csc3ccccc23)cn1
InChIInChI=1S/C15H16N2OS/c1-2-17-9-11(8-16-17)7-14(18)13-10-19-15-6-4-3-5-12(13)15/h3-6,8-10,14,18H,2,7H2,1H3
InChIKeyOPAFBISLPVKSOK-UHFFFAOYSA-N
XLogP3.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105291375
1-(3-chloro-4-methylthiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 103407860
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744320
1-benzothiophen-3-yl-(1-ethylpyrazol-4-yl)methanone
CID 114964476
2-(1-benzothiophen-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572658
1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823876
2-(1-ethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104769635
1-(3-bromo-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 107953993
1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822474
2-(1-ethylpyrazol-4-yl)-1-(furan-2-yl)ethanol
CID 62717465
1-(1-ethylpyrazol-4-yl)-3-phenylpentan-2-ol
CID 115780635

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethanol (CID 63893599) is 1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethanol is CCn1cc(CC(O)c2csc3ccccc23)cn1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethanol?
The InChIKey is OPAFBISLPVKSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-2-17-9-11(8-16-17)7-14(18)13-10-19-15-6-4-3-5-12(13)15/h3-6,8-10,14,18H,2,7H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethanol?
1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethanol has a molecular weight of 272.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 63893599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).