2,5-ditert-butyl-1-(2-pyrazol-1-ylethyl)piperazine

C17H32N4 — CID 64840896

IUPAC2,5-ditert-butyl-1-(2-pyrazol-1-ylethyl)piperazine
SMILESCC(C)(C)C1CN(CCn2cccn2)C(C(C)(C)C)CN1
InChIInChI=1S/C17H32N4/c1-16(2,3)14-13-20(10-11-21-9-7-8-19-21)15(12-18-14)17(4,5)6/h7-9,14-15,18H,10-13H2,1-6H3
InChIKeyNBNDVFZTXIAPTK-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.62
Rot. Bonds3

About 2,5-ditert-butyl-1-(2-pyrazol-1-ylethyl)piperazine

2,5-ditert-butyl-1-(2-pyrazol-1-ylethyl)piperazine (PubChem CID 64840896) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2,5-ditert-butyl-1-(2-pyrazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name2,5-ditert-butyl-1-(2-pyrazol-1-ylethyl)piperazine
PubChem CID64840896
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2,5-ditert-butyl-1-(2-pyrazol-1-ylethyl)piperazine
SMILESCC(C)(C)C1CN(CCn2cccn2)C(C(C)(C)C)CN1
InChIInChI=1S/C17H32N4/c1-16(2,3)14-13-20(10-11-21-9-7-8-19-21)15(12-18-14)17(4,5)6/h7-9,14-15,18H,10-13H2,1-6H3
InChIKeyNBNDVFZTXIAPTK-UHFFFAOYSA-N
XLogP2.62
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-1-(2-pyrazol-1-ylethyl)piperazine?
The IUPAC name of 2,5-ditert-butyl-1-(2-pyrazol-1-ylethyl)piperazine (CID 64840896) is 2,5-ditert-butyl-1-(2-pyrazol-1-ylethyl)piperazine.
What is the SMILES notation for 2,5-ditert-butyl-1-(2-pyrazol-1-ylethyl)piperazine?
The canonical SMILES for 2,5-ditert-butyl-1-(2-pyrazol-1-ylethyl)piperazine is CC(C)(C)C1CN(CCn2cccn2)C(C(C)(C)C)CN1.
What is the InChIKey of 2,5-ditert-butyl-1-(2-pyrazol-1-ylethyl)piperazine?
The InChIKey is NBNDVFZTXIAPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-16(2,3)14-13-20(10-11-21-9-7-8-19-21)15(12-18-14)17(4,5)6/h7-9,14-15,18H,10-13H2,1-6H3.
What are the key properties of 2,5-ditert-butyl-1-(2-pyrazol-1-ylethyl)piperazine?
2,5-ditert-butyl-1-(2-pyrazol-1-ylethyl)piperazine has a molecular weight of 292.47 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-1-(2-pyrazol-1-ylethyl)piperazine is sourced from PubChem (CID 64840896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).