2-(1-methylpyrazol-4-yl)piperazine

C8H14N4 — CID 75480342

IUPAC2-(1-methylpyrazol-4-yl)piperazine
SMILESCn1cc(C2CNCCN2)cn1
InChIInChI=1S/C8H14N4/c1-12-6-7(4-11-12)8-5-9-2-3-10-8/h4,6,8-10H,2-3,5H2,1H3
InChIKeyLLWRMGZNTZIBOV-UHFFFAOYSA-N
MW166.23 g/mol
LogP-0.35
Rot. Bonds1

About 2-(1-methylpyrazol-4-yl)piperazine

2-(1-methylpyrazol-4-yl)piperazine (PubChem CID 75480342) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)piperazine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)piperazine
PubChem CID75480342
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-(1-methylpyrazol-4-yl)piperazine
SMILESCn1cc(C2CNCCN2)cn1
InChIInChI=1S/C8H14N4/c1-12-6-7(4-11-12)8-5-9-2-3-10-8/h4,6,8-10H,2-3,5H2,1H3
InChIKeyLLWRMGZNTZIBOV-UHFFFAOYSA-N
XLogP-0.35
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)piperazine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)piperazine (CID 75480342) is 2-(1-methylpyrazol-4-yl)piperazine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)piperazine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)piperazine is Cn1cc(C2CNCCN2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)piperazine?
The InChIKey is LLWRMGZNTZIBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-12-6-7(4-11-12)8-5-9-2-3-10-8/h4,6,8-10H,2-3,5H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)piperazine?
2-(1-methylpyrazol-4-yl)piperazine has a molecular weight of 166.23 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)piperazine is sourced from PubChem (CID 75480342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).