5-(1-benzothiophen-2-yl)-1H-pyrazol-3-amine

C11H9N3S — CID 61406881

IUPAC5-(1-benzothiophen-2-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc3ccccc3s2)[nH]n1
InChIInChI=1S/C11H9N3S/c12-11-6-8(13-14-11)10-5-7-3-1-2-4-9(7)15-10/h1-6H,(H3,12,13,14)
InChIKeyHBUYTDMBPRZSLZ-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.87
Rot. Bonds1

About 5-(1-benzothiophen-2-yl)-1H-pyrazol-3-amine

5-(1-benzothiophen-2-yl)-1H-pyrazol-3-amine (PubChem CID 61406881) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 5-(1-benzothiophen-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1-benzothiophen-2-yl)-1H-pyrazol-3-amine
PubChem CID61406881
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name5-(1-benzothiophen-2-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc3ccccc3s2)[nH]n1
InChIInChI=1S/C11H9N3S/c12-11-6-8(13-14-11)10-5-7-3-1-2-4-9(7)15-10/h1-6H,(H3,12,13,14)
InChIKeyHBUYTDMBPRZSLZ-UHFFFAOYSA-N
XLogP2.87
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(1-benzothiophen-2-yl)-1H-pyrazol-3-amine (CID 61406881) is 5-(1-benzothiophen-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1-benzothiophen-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1-benzothiophen-2-yl)-1H-pyrazol-3-amine is Nc1cc(-c2cc3ccccc3s2)[nH]n1.
What is the InChIKey of 5-(1-benzothiophen-2-yl)-1H-pyrazol-3-amine?
The InChIKey is HBUYTDMBPRZSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c12-11-6-8(13-14-11)10-5-7-3-1-2-4-9(7)15-10/h1-6H,(H3,12,13,14).
What are the key properties of 5-(1-benzothiophen-2-yl)-1H-pyrazol-3-amine?
5-(1-benzothiophen-2-yl)-1H-pyrazol-3-amine has a molecular weight of 215.28 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 61406881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).