2-ethyl-2,5,5-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine

C14H26N4 — CID 64838757

IUPAC2-ethyl-2,5,5-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine
SMILESCCC1(C)CNC(C)(C)CN1CCn1cccn1
InChIInChI=1S/C14H26N4/c1-5-14(4)11-15-13(2,3)12-17(14)9-10-18-8-6-7-16-18/h6-8,15H,5,9-12H2,1-4H3
InChIKeyOKBLRNWWNGYLBK-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.74
Rot. Bonds4

About 2-ethyl-2,5,5-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine

2-ethyl-2,5,5-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine (PubChem CID 64838757) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-ethyl-2,5,5-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name2-ethyl-2,5,5-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine
PubChem CID64838757
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-ethyl-2,5,5-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine
SMILESCCC1(C)CNC(C)(C)CN1CCn1cccn1
InChIInChI=1S/C14H26N4/c1-5-14(4)11-15-13(2,3)12-17(14)9-10-18-8-6-7-16-18/h6-8,15H,5,9-12H2,1-4H3
InChIKeyOKBLRNWWNGYLBK-UHFFFAOYSA-N
XLogP1.74
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8,8-dimethyl-6-(2-pyrazol-1-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64843633
2-ethyl-2,5,5-trimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 64838762
5-tert-butyl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64842838
5-butan-2-yl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64847296
3,3-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane
CID 64869288
2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82871464
5,5-dimethyl-2-propyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64837941
2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine
CID 65097594
5,5-dimethyl-2-(2-methylpropyl)-1-(2-pyrazol-1-ylethyl)piperazine
CID 64837787
3,3-dimethyl-1-(2-pyrazol-1-ylethyl)-4,5-dihydro-2H-1,4-benzodiazepine
CID 79910458
2-ethyl-2,5,5-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 79261256
1-(2,2-difluoroethyl)-2-ethyl-2,5,5-trimethylpiperazine
CID 64838559

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,5,5-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine?
The IUPAC name of 2-ethyl-2,5,5-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine (CID 64838757) is 2-ethyl-2,5,5-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine.
What is the SMILES notation for 2-ethyl-2,5,5-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine?
The canonical SMILES for 2-ethyl-2,5,5-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine is CCC1(C)CNC(C)(C)CN1CCn1cccn1.
What is the InChIKey of 2-ethyl-2,5,5-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine?
The InChIKey is OKBLRNWWNGYLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-14(4)11-15-13(2,3)12-17(14)9-10-18-8-6-7-16-18/h6-8,15H,5,9-12H2,1-4H3.
What are the key properties of 2-ethyl-2,5,5-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine?
2-ethyl-2,5,5-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine has a molecular weight of 250.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,5,5-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine is sourced from PubChem (CID 64838757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).