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

C13H10FN3S — CID 83222347

IUPAC1-(3-fluorophenyl)-3-thiophen-3-ylpyrazol-4-amine
SMILESNc1cn(-c2cccc(F)c2)nc1-c1ccsc1
InChIInChI=1S/C13H10FN3S/c14-10-2-1-3-11(6-10)17-7-12(15)13(16-17)9-4-5-18-8-9/h1-8H,15H2
InChIKeySQRHAMMNKBRLHC-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.32
Rot. Bonds2

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

1-(3-fluorophenyl)-3-thiophen-3-ylpyrazol-4-amine (PubChem CID 83222347) has the molecular formula C13H10FN3S and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-thiophen-3-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-thiophen-3-ylpyrazol-4-amine
PubChem CID83222347
Molecular FormulaC13H10FN3S
Molecular Weight259.31 g/mol
Exact Mass259.06
IUPAC Name1-(3-fluorophenyl)-3-thiophen-3-ylpyrazol-4-amine
SMILESNc1cn(-c2cccc(F)c2)nc1-c1ccsc1
InChIInChI=1S/C13H10FN3S/c14-10-2-1-3-11(6-10)17-7-12(15)13(16-17)9-4-5-18-8-9/h1-8H,15H2
InChIKeySQRHAMMNKBRLHC-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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-thiophen-3-ylpyrazol-4-amine?
The IUPAC name of 1-(3-fluorophenyl)-3-thiophen-3-ylpyrazol-4-amine (CID 83222347) is 1-(3-fluorophenyl)-3-thiophen-3-ylpyrazol-4-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-3-thiophen-3-ylpyrazol-4-amine?
The canonical SMILES for 1-(3-fluorophenyl)-3-thiophen-3-ylpyrazol-4-amine is Nc1cn(-c2cccc(F)c2)nc1-c1ccsc1.
What is the InChIKey of 1-(3-fluorophenyl)-3-thiophen-3-ylpyrazol-4-amine?
The InChIKey is SQRHAMMNKBRLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3S/c14-10-2-1-3-11(6-10)17-7-12(15)13(16-17)9-4-5-18-8-9/h1-8H,15H2.
What are the key properties of 1-(3-fluorophenyl)-3-thiophen-3-ylpyrazol-4-amine?
1-(3-fluorophenyl)-3-thiophen-3-ylpyrazol-4-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-(3-fluorophenyl)-3-thiophen-3-ylpyrazol-4-amine is sourced from PubChem (CID 83222347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).