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

C16H18N2OS — CID 103572658

IUPAC2-(1-benzothiophen-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)Cc2csc3ccccc23)cn1
InChIInChI=1S/C16H18N2OS/c1-2-7-18-10-13(9-17-18)15(19)8-12-11-20-16-6-4-3-5-14(12)16/h3-6,9-11,15,19H,2,7-8H2,1H3
InChIKeySWADRAIYRNNNGB-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.78
Rot. Bonds5

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

2-(1-benzothiophen-3-yl)-1-(1-propylpyrazol-4-yl)ethanol (PubChem CID 103572658) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(1-propylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
PubChem CID103572658
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-(1-benzothiophen-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)Cc2csc3ccccc23)cn1
InChIInChI=1S/C16H18N2OS/c1-2-7-18-10-13(9-17-18)15(19)8-12-11-20-16-6-4-3-5-14(12)16/h3-6,9-11,15,19H,2,7-8H2,1H3
InChIKeySWADRAIYRNNNGB-UHFFFAOYSA-N
XLogP3.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572665
2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol
CID 63736721
2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572594
1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone
CID 114963887
2-(1-benzothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanol
CID 115781069
1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 63893599
2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol
CID 65150146
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol
CID 65142294
2-(2-chloro-4-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 63035451
2-(1-benzothiophen-3-yl)-1-pyrazin-2-ylethanol
CID 63738461
2-(1-benzothiophen-3-yl)-1-(5-methylfuran-2-yl)ethanol
CID 65150670

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(1-propylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(1-propylpyrazol-4-yl)ethanol (CID 103572658) is 2-(1-benzothiophen-3-yl)-1-(1-propylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(1-propylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(1-propylpyrazol-4-yl)ethanol is CCCn1cc(C(O)Cc2csc3ccccc23)cn1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(1-propylpyrazol-4-yl)ethanol?
The InChIKey is SWADRAIYRNNNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-2-7-18-10-13(9-17-18)15(19)8-12-11-20-16-6-4-3-5-14(12)16/h3-6,9-11,15,19H,2,7-8H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(1-propylpyrazol-4-yl)ethanol?
2-(1-benzothiophen-3-yl)-1-(1-propylpyrazol-4-yl)ethanol has a molecular weight of 286.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(1-propylpyrazol-4-yl)ethanol is sourced from PubChem (CID 103572658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).