1-[2-(4-fluorophenyl)pyrazol-3-yl]piperazine

C13H15FN4 — CID 23014272

IUPAC1-[2-(4-fluorophenyl)pyrazol-3-yl]piperazine
SMILESFc1ccc(-n2nccc2N2CCNCC2)cc1
InChIInChI=1S/C13H15FN4/c14-11-1-3-12(4-2-11)18-13(5-6-16-18)17-9-7-15-8-10-17/h1-6,15H,7-10H2
InChIKeyAXGDHSIJLKZTAZ-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.42
Rot. Bonds2

About 1-[2-(4-fluorophenyl)pyrazol-3-yl]piperazine

1-[2-(4-fluorophenyl)pyrazol-3-yl]piperazine (PubChem CID 23014272) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)pyrazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)pyrazol-3-yl]piperazine
PubChem CID23014272
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name1-[2-(4-fluorophenyl)pyrazol-3-yl]piperazine
SMILESFc1ccc(-n2nccc2N2CCNCC2)cc1
InChIInChI=1S/C13H15FN4/c14-11-1-3-12(4-2-11)18-13(5-6-16-18)17-9-7-15-8-10-17/h1-6,15H,7-10H2
InChIKeyAXGDHSIJLKZTAZ-UHFFFAOYSA-N
XLogP1.42
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)pyrazol-3-yl]piperazine?
The IUPAC name of 1-[2-(4-fluorophenyl)pyrazol-3-yl]piperazine (CID 23014272) is 1-[2-(4-fluorophenyl)pyrazol-3-yl]piperazine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)pyrazol-3-yl]piperazine?
The canonical SMILES for 1-[2-(4-fluorophenyl)pyrazol-3-yl]piperazine is Fc1ccc(-n2nccc2N2CCNCC2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)pyrazol-3-yl]piperazine?
The InChIKey is AXGDHSIJLKZTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c14-11-1-3-12(4-2-11)18-13(5-6-16-18)17-9-7-15-8-10-17/h1-6,15H,7-10H2.
What are the key properties of 1-[2-(4-fluorophenyl)pyrazol-3-yl]piperazine?
1-[2-(4-fluorophenyl)pyrazol-3-yl]piperazine has a molecular weight of 246.29 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)pyrazol-3-yl]piperazine is sourced from PubChem (CID 23014272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).