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

C13H9ClFN3S — CID 83218025

IUPAC1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpyrazol-4-amine
SMILESNc1cn(-c2ccc(Cl)c(F)c2)nc1-c1cccs1
InChIInChI=1S/C13H9ClFN3S/c14-9-4-3-8(6-10(9)15)18-7-11(16)13(17-18)12-2-1-5-19-12/h1-7H,16H2
InChIKeyMNOURIXXGHYLBE-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.98
Rot. Bonds2

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

1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpyrazol-4-amine (PubChem CID 83218025) has the molecular formula C13H9ClFN3S and a molecular weight of 293.75 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpyrazol-4-amine
PubChem CID83218025
Molecular FormulaC13H9ClFN3S
Molecular Weight293.75 g/mol
Exact Mass293.02
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpyrazol-4-amine
SMILESNc1cn(-c2ccc(Cl)c(F)c2)nc1-c1cccs1
InChIInChI=1S/C13H9ClFN3S/c14-9-4-3-8(6-10(9)15)18-7-11(16)13(17-18)12-2-1-5-19-12/h1-7H,16H2
InChIKeyMNOURIXXGHYLBE-UHFFFAOYSA-N
XLogP3.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpyrazol-4-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpyrazol-4-amine (CID 83218025) is 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpyrazol-4-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpyrazol-4-amine is Nc1cn(-c2ccc(Cl)c(F)c2)nc1-c1cccs1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpyrazol-4-amine?
The InChIKey is MNOURIXXGHYLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3S/c14-9-4-3-8(6-10(9)15)18-7-11(16)13(17-18)12-2-1-5-19-12/h1-7H,16H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpyrazol-4-amine?
1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpyrazol-4-amine has a molecular weight of 293.75 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpyrazol-4-amine is sourced from PubChem (CID 83218025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).