1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-amine

C13H10FN3S — CID 2742741

IUPAC1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-amine
SMILESNc1cc(-c2cccs2)nn1-c1ccc(F)cc1
InChIInChI=1S/C13H10FN3S/c14-9-3-5-10(6-4-9)17-13(15)8-11(16-17)12-2-1-7-18-12/h1-8H,15H2
InChIKeyNIMXUWHIYXBOGF-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.32
Rot. Bonds2

About 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-amine

1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-amine (PubChem CID 2742741) has the molecular formula C13H10FN3S and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-amine
PubChem CID2742741
Molecular FormulaC13H10FN3S
Molecular Weight259.31 g/mol
Exact Mass259.06
IUPAC Name1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-amine
SMILESNc1cc(-c2cccs2)nn1-c1ccc(F)cc1
InChIInChI=1S/C13H10FN3S/c14-9-3-5-10(6-4-9)17-13(15)8-11(16-17)12-2-1-7-18-12/h1-8H,15H2
InChIKeyNIMXUWHIYXBOGF-UHFFFAOYSA-N
XLogP3.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-amine (CID 2742741) is 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-amine is Nc1cc(-c2cccs2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-amine?
The InChIKey is NIMXUWHIYXBOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3S/c14-9-3-5-10(6-4-9)17-13(15)8-11(16-17)12-2-1-7-18-12/h1-8H,15H2.
What are the key properties of 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-amine?
1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-amine has a molecular weight of 259.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 2742741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).