5-butan-2-yl-2-ethyl-1-(2-pyrazol-1-ylethyl)piperazine

C15H28N4 — CID 64847451

IUPAC5-butan-2-yl-2-ethyl-1-(2-pyrazol-1-ylethyl)piperazine
SMILESCCC(C)C1CN(CCn2cccn2)C(CC)CN1
InChIInChI=1S/C15H28N4/c1-4-13(3)15-12-18(14(5-2)11-16-15)9-10-19-8-6-7-17-19/h6-8,13-16H,4-5,9-12H2,1-3H3
InChIKeyTXAVIIGUUMSBOD-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.98
Rot. Bonds6

About 5-butan-2-yl-2-ethyl-1-(2-pyrazol-1-ylethyl)piperazine

5-butan-2-yl-2-ethyl-1-(2-pyrazol-1-ylethyl)piperazine (PubChem CID 64847451) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-1-(2-pyrazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-1-(2-pyrazol-1-ylethyl)piperazine
PubChem CID64847451
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name5-butan-2-yl-2-ethyl-1-(2-pyrazol-1-ylethyl)piperazine
SMILESCCC(C)C1CN(CCn2cccn2)C(CC)CN1
InChIInChI=1S/C15H28N4/c1-4-13(3)15-12-18(14(5-2)11-16-15)9-10-19-8-6-7-17-19/h6-8,13-16H,4-5,9-12H2,1-3H3
InChIKeyTXAVIIGUUMSBOD-UHFFFAOYSA-N
XLogP1.98
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-1-(2-pyrazol-1-ylethyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-ethyl-1-(2-pyrazol-1-ylethyl)piperazine (CID 64847451) is 5-butan-2-yl-2-ethyl-1-(2-pyrazol-1-ylethyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-1-(2-pyrazol-1-ylethyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-ethyl-1-(2-pyrazol-1-ylethyl)piperazine is CCC(C)C1CN(CCn2cccn2)C(CC)CN1.
What is the InChIKey of 5-butan-2-yl-2-ethyl-1-(2-pyrazol-1-ylethyl)piperazine?
The InChIKey is TXAVIIGUUMSBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-13(3)15-12-18(14(5-2)11-16-15)9-10-19-8-6-7-17-19/h6-8,13-16H,4-5,9-12H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-ethyl-1-(2-pyrazol-1-ylethyl)piperazine?
5-butan-2-yl-2-ethyl-1-(2-pyrazol-1-ylethyl)piperazine has a molecular weight of 264.42 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-ethyl-1-(2-pyrazol-1-ylethyl)piperazine is sourced from PubChem (CID 64847451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).