1-(7-fluoro-1-benzothiophen-3-yl)pyrazol-3-amine

C11H8FN3S — CID 90062062

IUPAC1-(7-fluoro-1-benzothiophen-3-yl)pyrazol-3-amine
SMILESNc1ccn(-c2csc3c(F)cccc23)n1
InChIInChI=1S/C11H8FN3S/c12-8-3-1-2-7-9(6-16-11(7)8)15-5-4-10(13)14-15/h1-6H,(H2,13,14)
InChIKeyUELYITHYEXETAK-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.81
Rot. Bonds1

About 1-(7-fluoro-1-benzothiophen-3-yl)pyrazol-3-amine

1-(7-fluoro-1-benzothiophen-3-yl)pyrazol-3-amine (PubChem CID 90062062) has the molecular formula C11H8FN3S and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(7-fluoro-1-benzothiophen-3-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(7-fluoro-1-benzothiophen-3-yl)pyrazol-3-amine
PubChem CID90062062
Molecular FormulaC11H8FN3S
Molecular Weight233.27 g/mol
Exact Mass233.04
IUPAC Name1-(7-fluoro-1-benzothiophen-3-yl)pyrazol-3-amine
SMILESNc1ccn(-c2csc3c(F)cccc23)n1
InChIInChI=1S/C11H8FN3S/c12-8-3-1-2-7-9(6-16-11(7)8)15-5-4-10(13)14-15/h1-6H,(H2,13,14)
InChIKeyUELYITHYEXETAK-UHFFFAOYSA-N
XLogP2.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-benzothiophen-3-yl)pyrazol-3-amine?
The IUPAC name of 1-(7-fluoro-1-benzothiophen-3-yl)pyrazol-3-amine (CID 90062062) is 1-(7-fluoro-1-benzothiophen-3-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(7-fluoro-1-benzothiophen-3-yl)pyrazol-3-amine?
The canonical SMILES for 1-(7-fluoro-1-benzothiophen-3-yl)pyrazol-3-amine is Nc1ccn(-c2csc3c(F)cccc23)n1.
What is the InChIKey of 1-(7-fluoro-1-benzothiophen-3-yl)pyrazol-3-amine?
The InChIKey is UELYITHYEXETAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3S/c12-8-3-1-2-7-9(6-16-11(7)8)15-5-4-10(13)14-15/h1-6H,(H2,13,14).
What are the key properties of 1-(7-fluoro-1-benzothiophen-3-yl)pyrazol-3-amine?
1-(7-fluoro-1-benzothiophen-3-yl)pyrazol-3-amine has a molecular weight of 233.27 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1-benzothiophen-3-yl)pyrazol-3-amine is sourced from PubChem (CID 90062062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).