2-[5-amino-3-(1-benzothiophen-2-yl)pyrazol-1-yl]ethanol

C13H13N3OS — CID 61406977

IUPAC2-[5-amino-3-(1-benzothiophen-2-yl)pyrazol-1-yl]ethanol
SMILESNc1cc(-c2cc3ccccc3s2)nn1CCO
InChIInChI=1S/C13H13N3OS/c14-13-8-10(15-16(13)5-6-17)12-7-9-3-1-2-4-11(9)18-12/h1-4,7-8,17H,5-6,14H2
InChIKeyQNEDHPPCBATJSH-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.34
Rot. Bonds3

About 2-[5-amino-3-(1-benzothiophen-2-yl)pyrazol-1-yl]ethanol

2-[5-amino-3-(1-benzothiophen-2-yl)pyrazol-1-yl]ethanol (PubChem CID 61406977) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-[5-amino-3-(1-benzothiophen-2-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-(1-benzothiophen-2-yl)pyrazol-1-yl]ethanol
PubChem CID61406977
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-[5-amino-3-(1-benzothiophen-2-yl)pyrazol-1-yl]ethanol
SMILESNc1cc(-c2cc3ccccc3s2)nn1CCO
InChIInChI=1S/C13H13N3OS/c14-13-8-10(15-16(13)5-6-17)12-7-9-3-1-2-4-11(9)18-12/h1-4,7-8,17H,5-6,14H2
InChIKeyQNEDHPPCBATJSH-UHFFFAOYSA-N
XLogP2.34
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(1-benzothiophen-2-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-(1-benzothiophen-2-yl)pyrazol-1-yl]ethanol (CID 61406977) is 2-[5-amino-3-(1-benzothiophen-2-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-(1-benzothiophen-2-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-(1-benzothiophen-2-yl)pyrazol-1-yl]ethanol is Nc1cc(-c2cc3ccccc3s2)nn1CCO.
What is the InChIKey of 2-[5-amino-3-(1-benzothiophen-2-yl)pyrazol-1-yl]ethanol?
The InChIKey is QNEDHPPCBATJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c14-13-8-10(15-16(13)5-6-17)12-7-9-3-1-2-4-11(9)18-12/h1-4,7-8,17H,5-6,14H2.
What are the key properties of 2-[5-amino-3-(1-benzothiophen-2-yl)pyrazol-1-yl]ethanol?
2-[5-amino-3-(1-benzothiophen-2-yl)pyrazol-1-yl]ethanol has a molecular weight of 259.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(1-benzothiophen-2-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 61406977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).