1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine

C13H15FN4 — CID 117209911

IUPAC1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine
SMILESFc1ccccc1-c1[nH]ncc1N1CCNCC1
InChIInChI=1S/C13H15FN4/c14-11-4-2-1-3-10(11)13-12(9-16-17-13)18-7-5-15-6-8-18/h1-4,9,15H,5-8H2,(H,16,17)
InChIKeyLCJSVVCXJQEDOV-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.63
Rot. Bonds2

About 1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine

1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine (PubChem CID 117209911) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine
PubChem CID117209911
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine
SMILESFc1ccccc1-c1[nH]ncc1N1CCNCC1
InChIInChI=1S/C13H15FN4/c14-11-4-2-1-3-10(11)13-12(9-16-17-13)18-7-5-15-6-8-18/h1-4,9,15H,5-8H2,(H,16,17)
InChIKeyLCJSVVCXJQEDOV-UHFFFAOYSA-N
XLogP1.63
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine?
The IUPAC name of 1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine (CID 117209911) is 1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine.
What is the SMILES notation for 1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine?
The canonical SMILES for 1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine is Fc1ccccc1-c1[nH]ncc1N1CCNCC1.
What is the InChIKey of 1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine?
The InChIKey is LCJSVVCXJQEDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c14-11-4-2-1-3-10(11)13-12(9-16-17-13)18-7-5-15-6-8-18/h1-4,9,15H,5-8H2,(H,16,17).
What are the key properties of 1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine?
1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine has a molecular weight of 246.29 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine is sourced from PubChem (CID 117209911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).