1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazol-4-amine

C13H9F2N3S — CID 83223052

IUPAC1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazol-4-amine
SMILESNc1cn(-c2ccc(F)cc2F)nc1-c1cccs1
InChIInChI=1S/C13H9F2N3S/c14-8-3-4-11(9(15)6-8)18-7-10(16)13(17-18)12-2-1-5-19-12/h1-7H,16H2
InChIKeyBIAMNEIWFUJMML-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.46
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazol-4-amine

1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazol-4-amine (PubChem CID 83223052) has the molecular formula C13H9F2N3S and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazol-4-amine
PubChem CID83223052
Molecular FormulaC13H9F2N3S
Molecular Weight277.30 g/mol
Exact Mass277.05
IUPAC Name1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazol-4-amine
SMILESNc1cn(-c2ccc(F)cc2F)nc1-c1cccs1
InChIInChI=1S/C13H9F2N3S/c14-8-3-4-11(9(15)6-8)18-7-10(16)13(17-18)12-2-1-5-19-12/h1-7H,16H2
InChIKeyBIAMNEIWFUJMML-UHFFFAOYSA-N
XLogP3.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazol-4-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazol-4-amine (CID 83223052) is 1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazol-4-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazol-4-amine is Nc1cn(-c2ccc(F)cc2F)nc1-c1cccs1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazol-4-amine?
The InChIKey is BIAMNEIWFUJMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3S/c14-8-3-4-11(9(15)6-8)18-7-10(16)13(17-18)12-2-1-5-19-12/h1-7H,16H2.
What are the key properties of 1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazol-4-amine?
1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazol-4-amine has a molecular weight of 277.30 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazol-4-amine is sourced from PubChem (CID 83223052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).