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

C15H16N2OS — CID 114910961

IUPAC1-(1-benzothiophen-2-yl)-1-(2-ethylpyrazol-3-yl)ethanol
SMILESCCn1nccc1C(C)(O)c1cc2ccccc2s1
InChIInChI=1S/C15H16N2OS/c1-3-17-13(8-9-16-17)15(2,18)14-10-11-6-4-5-7-12(11)19-14/h4-10,18H,3H2,1-2H3
InChIKeyYVRWQPBBCJNIAE-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.37
Rot. Bonds3

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

1-(1-benzothiophen-2-yl)-1-(2-ethylpyrazol-3-yl)ethanol (PubChem CID 114910961) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-1-(2-ethylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-1-(2-ethylpyrazol-3-yl)ethanol
PubChem CID114910961
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-(1-benzothiophen-2-yl)-1-(2-ethylpyrazol-3-yl)ethanol
SMILESCCn1nccc1C(C)(O)c1cc2ccccc2s1
InChIInChI=1S/C15H16N2OS/c1-3-17-13(8-9-16-17)15(2,18)14-10-11-6-4-5-7-12(11)19-14/h4-10,18H,3H2,1-2H3
InChIKeyYVRWQPBBCJNIAE-UHFFFAOYSA-N
XLogP3.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzothiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol
CID 114910774
2-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-2-ol
CID 115401007
1-(1-benzothiophen-2-yl)-1-bromoethanol
CID 150482026
1-(1-benzothiophen-2-yl)-1-(2-methylphenyl)ethanol
CID 114910776
1-(1-benzothiophen-2-yl)-1-(3-methylphenyl)ethanol
CID 114910952
2-(1-benzothiophen-2-yl)-3-ethylpentan-2-ol
CID 114910806
1-(1-benzothiophen-2-yl)-1-(4-chlorophenyl)ethanol
CID 114910893
1-(1-benzothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 114910959
1-(4-amino-3-pyridinyl)-1-(1-benzothiophen-2-yl)ethanol
CID 114910885
2-(1-benzothiophen-2-yl)-1-ethoxypropan-2-ol
CID 114910761
3-amino-2-(2-ethylpyrazol-3-yl)butan-2-ol
CID 130574269
1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)ethanol
CID 105394073

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-1-(2-ethylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-1-(2-ethylpyrazol-3-yl)ethanol (CID 114910961) is 1-(1-benzothiophen-2-yl)-1-(2-ethylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-1-(2-ethylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-1-(2-ethylpyrazol-3-yl)ethanol is CCn1nccc1C(C)(O)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-1-(2-ethylpyrazol-3-yl)ethanol?
The InChIKey is YVRWQPBBCJNIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-3-17-13(8-9-16-17)15(2,18)14-10-11-6-4-5-7-12(11)19-14/h4-10,18H,3H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-1-(2-ethylpyrazol-3-yl)ethanol?
1-(1-benzothiophen-2-yl)-1-(2-ethylpyrazol-3-yl)ethanol has a molecular weight of 272.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-1-(2-ethylpyrazol-3-yl)ethanol is sourced from PubChem (CID 114910961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).