2,5-dicyclopropyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine

C16H26N4 — CID 64862475

IUPAC2,5-dicyclopropyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine
SMILESCC1(C2CC2)CNC(C2CC2)CN1CCn1cccn1
InChIInChI=1S/C16H26N4/c1-16(14-5-6-14)12-17-15(13-3-4-13)11-19(16)9-10-20-8-2-7-18-20/h2,7-8,13-15,17H,3-6,9-12H2,1H3
InChIKeyGIBHYIASCXCEDF-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.74
Rot. Bonds5

About 2,5-dicyclopropyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine

2,5-dicyclopropyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine (PubChem CID 64862475) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2,5-dicyclopropyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name2,5-dicyclopropyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine
PubChem CID64862475
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2,5-dicyclopropyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine
SMILESCC1(C2CC2)CNC(C2CC2)CN1CCn1cccn1
InChIInChI=1S/C16H26N4/c1-16(14-5-6-14)12-17-15(13-3-4-13)11-19(16)9-10-20-8-2-7-18-20/h2,7-8,13-15,17H,3-6,9-12H2,1H3
InChIKeyGIBHYIASCXCEDF-UHFFFAOYSA-N
XLogP1.74
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dicyclopropyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine?
The IUPAC name of 2,5-dicyclopropyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine (CID 64862475) is 2,5-dicyclopropyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine.
What is the SMILES notation for 2,5-dicyclopropyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine?
The canonical SMILES for 2,5-dicyclopropyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine is CC1(C2CC2)CNC(C2CC2)CN1CCn1cccn1.
What is the InChIKey of 2,5-dicyclopropyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine?
The InChIKey is GIBHYIASCXCEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-16(14-5-6-14)12-17-15(13-3-4-13)11-19(16)9-10-20-8-2-7-18-20/h2,7-8,13-15,17H,3-6,9-12H2,1H3.
What are the key properties of 2,5-dicyclopropyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine?
2,5-dicyclopropyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine has a molecular weight of 274.41 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dicyclopropyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine is sourced from PubChem (CID 64862475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).