2-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propylpiperazine

C17H32N4 — CID 103016284

IUPAC2-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propylpiperazine
SMILESCCCC1CN(CCc2ccnn2C)C(C(C)CC)CN1
InChIInChI=1S/C17H32N4/c1-5-7-15-13-21(17(12-18-15)14(3)6-2)11-9-16-8-10-19-20(16)4/h8,10,14-15,17-18H,5-7,9,11-13H2,1-4H3
InChIKeyZHLPDOBNZAFGIC-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.45
Rot. Bonds7

About 2-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propylpiperazine

2-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propylpiperazine (PubChem CID 103016284) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propylpiperazine
PubChem CID103016284
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propylpiperazine
SMILESCCCC1CN(CCc2ccnn2C)C(C(C)CC)CN1
InChIInChI=1S/C17H32N4/c1-5-7-15-13-21(17(12-18-15)14(3)6-2)11-9-16-8-10-19-20(16)4/h8,10,14-15,17-18H,5-7,9,11-13H2,1-4H3
InChIKeyZHLPDOBNZAFGIC-UHFFFAOYSA-N
XLogP2.45
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpiperazine
CID 103016484
2-butan-2-yl-1-pentyl-5-propylpiperazine
CID 64839559
2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine
CID 81114309
2-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine
CID 65170424
2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine
CID 64839947
2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine
CID 103414108
2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64839560
2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine
CID 64840141
2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine
CID 64849704
2-butan-2-yl-5-ethyl-1-octylpiperazine
CID 64842711
1-octyl-2-propan-2-yl-5-propylpiperazine
CID 64840134
2-butan-2-yl-5-ethyl-1-heptylpiperazine
CID 64840963

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propylpiperazine?
The IUPAC name of 2-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propylpiperazine (CID 103016284) is 2-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propylpiperazine.
What is the SMILES notation for 2-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propylpiperazine?
The canonical SMILES for 2-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propylpiperazine is CCCC1CN(CCc2ccnn2C)C(C(C)CC)CN1.
What is the InChIKey of 2-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propylpiperazine?
The InChIKey is ZHLPDOBNZAFGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-5-7-15-13-21(17(12-18-15)14(3)6-2)11-9-16-8-10-19-20(16)4/h8,10,14-15,17-18H,5-7,9,11-13H2,1-4H3.
What are the key properties of 2-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propylpiperazine?
2-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propylpiperazine has a molecular weight of 292.47 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propylpiperazine is sourced from PubChem (CID 103016284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).