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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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).