1-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]piperazine

C13H15FN4 — CID 59854796

IUPAC1-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]piperazine
SMILESFc1ccc(-c2ccn[nH]2)cc1N1CCNCC1
InChIInChI=1S/C13H15FN4/c14-11-2-1-10(12-3-4-16-17-12)9-13(11)18-7-5-15-6-8-18/h1-4,9,15H,5-8H2,(H,16,17)
InChIKeyPGYLAIWZBZTWIL-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.63
Rot. Bonds2

About 1-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]piperazine

1-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]piperazine (PubChem CID 59854796) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 1-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]piperazine
PubChem CID59854796
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name1-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]piperazine
SMILESFc1ccc(-c2ccn[nH]2)cc1N1CCNCC1
InChIInChI=1S/C13H15FN4/c14-11-2-1-10(12-3-4-16-17-12)9-13(11)18-7-5-15-6-8-18/h1-4,9,15H,5-8H2,(H,16,17)
InChIKeyPGYLAIWZBZTWIL-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-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]piperazine?
The IUPAC name of 1-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]piperazine (CID 59854796) is 1-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]piperazine.
What is the SMILES notation for 1-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]piperazine?
The canonical SMILES for 1-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]piperazine is Fc1ccc(-c2ccn[nH]2)cc1N1CCNCC1.
What is the InChIKey of 1-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]piperazine?
The InChIKey is PGYLAIWZBZTWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c14-11-2-1-10(12-3-4-16-17-12)9-13(11)18-7-5-15-6-8-18/h1-4,9,15H,5-8H2,(H,16,17).
What are the key properties of 1-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]piperazine?
1-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]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-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]piperazine is sourced from PubChem (CID 59854796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).