2,2-dimethyl-5-phenyl-1-(2-pyrazol-1-ylethyl)piperazine

C17H24N4 — CID 64877853

IUPAC2,2-dimethyl-5-phenyl-1-(2-pyrazol-1-ylethyl)piperazine
SMILESCC1(C)CNC(c2ccccc2)CN1CCn1cccn1
InChIInChI=1S/C17H24N4/c1-17(2)14-18-16(15-7-4-3-5-8-15)13-20(17)11-12-21-10-6-9-19-21/h3-10,16,18H,11-14H2,1-2H3
InChIKeyYKNKOKNNLFRWHB-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.31
Rot. Bonds4

About 2,2-dimethyl-5-phenyl-1-(2-pyrazol-1-ylethyl)piperazine

2,2-dimethyl-5-phenyl-1-(2-pyrazol-1-ylethyl)piperazine (PubChem CID 64877853) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2,2-dimethyl-5-phenyl-1-(2-pyrazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-5-phenyl-1-(2-pyrazol-1-ylethyl)piperazine
PubChem CID64877853
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2,2-dimethyl-5-phenyl-1-(2-pyrazol-1-ylethyl)piperazine
SMILESCC1(C)CNC(c2ccccc2)CN1CCn1cccn1
InChIInChI=1S/C17H24N4/c1-17(2)14-18-16(15-7-4-3-5-8-15)13-20(17)11-12-21-10-6-9-19-21/h3-10,16,18H,11-14H2,1-2H3
InChIKeyYKNKOKNNLFRWHB-UHFFFAOYSA-N
XLogP2.31
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-phenyl-1-(2-pyrazol-1-ylethyl)piperazine?
The IUPAC name of 2,2-dimethyl-5-phenyl-1-(2-pyrazol-1-ylethyl)piperazine (CID 64877853) is 2,2-dimethyl-5-phenyl-1-(2-pyrazol-1-ylethyl)piperazine.
What is the SMILES notation for 2,2-dimethyl-5-phenyl-1-(2-pyrazol-1-ylethyl)piperazine?
The canonical SMILES for 2,2-dimethyl-5-phenyl-1-(2-pyrazol-1-ylethyl)piperazine is CC1(C)CNC(c2ccccc2)CN1CCn1cccn1.
What is the InChIKey of 2,2-dimethyl-5-phenyl-1-(2-pyrazol-1-ylethyl)piperazine?
The InChIKey is YKNKOKNNLFRWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-17(2)14-18-16(15-7-4-3-5-8-15)13-20(17)11-12-21-10-6-9-19-21/h3-10,16,18H,11-14H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-phenyl-1-(2-pyrazol-1-ylethyl)piperazine?
2,2-dimethyl-5-phenyl-1-(2-pyrazol-1-ylethyl)piperazine has a molecular weight of 284.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-phenyl-1-(2-pyrazol-1-ylethyl)piperazine is sourced from PubChem (CID 64877853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).