1-[1-(1H-pyrazol-4-yl)ethyl]piperazine

C9H16N4 — CID 53433522

IUPAC1-[1-(1H-pyrazol-4-yl)ethyl]piperazine
SMILESCC(c1cn[nH]c1)N1CCNCC1
InChIInChI=1S/C9H16N4/c1-8(9-6-11-12-7-9)13-4-2-10-3-5-13/h6-8,10H,2-5H2,1H3,(H,11,12)
InChIKeyHBOPQGHQCGQWMH-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.38
Rot. Bonds2

About 1-[1-(1H-pyrazol-4-yl)ethyl]piperazine

1-[1-(1H-pyrazol-4-yl)ethyl]piperazine (PubChem CID 53433522) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-[1-(1H-pyrazol-4-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(1H-pyrazol-4-yl)ethyl]piperazine
PubChem CID53433522
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-[1-(1H-pyrazol-4-yl)ethyl]piperazine
SMILESCC(c1cn[nH]c1)N1CCNCC1
InChIInChI=1S/C9H16N4/c1-8(9-6-11-12-7-9)13-4-2-10-3-5-13/h6-8,10H,2-5H2,1H3,(H,11,12)
InChIKeyHBOPQGHQCGQWMH-UHFFFAOYSA-N
XLogP0.38
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-pyrazol-4-yl)ethyl]piperazine?
The IUPAC name of 1-[1-(1H-pyrazol-4-yl)ethyl]piperazine (CID 53433522) is 1-[1-(1H-pyrazol-4-yl)ethyl]piperazine.
What is the SMILES notation for 1-[1-(1H-pyrazol-4-yl)ethyl]piperazine?
The canonical SMILES for 1-[1-(1H-pyrazol-4-yl)ethyl]piperazine is CC(c1cn[nH]c1)N1CCNCC1.
What is the InChIKey of 1-[1-(1H-pyrazol-4-yl)ethyl]piperazine?
The InChIKey is HBOPQGHQCGQWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-8(9-6-11-12-7-9)13-4-2-10-3-5-13/h6-8,10H,2-5H2,1H3,(H,11,12).
What are the key properties of 1-[1-(1H-pyrazol-4-yl)ethyl]piperazine?
1-[1-(1H-pyrazol-4-yl)ethyl]piperazine has a molecular weight of 180.25 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-pyrazol-4-yl)ethyl]piperazine is sourced from PubChem (CID 53433522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).