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

C16H30N4 — CID 64847296

IUPAC5-butan-2-yl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine
SMILESCCC(C)C1CN(CCn2cccn2)C(C)(CC)CN1
InChIInChI=1S/C16H30N4/c1-5-14(3)15-12-19(16(4,6-2)13-17-15)10-11-20-9-7-8-18-20/h7-9,14-15,17H,5-6,10-13H2,1-4H3
InChIKeyMHXWJXWJKYXESC-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.37
Rot. Bonds6

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

5-butan-2-yl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine (PubChem CID 64847296) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine
PubChem CID64847296
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name5-butan-2-yl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine
SMILESCCC(C)C1CN(CCn2cccn2)C(C)(CC)CN1
InChIInChI=1S/C16H30N4/c1-5-14(3)15-12-19(16(4,6-2)13-17-15)10-11-20-9-7-8-18-20/h7-9,14-15,17H,5-6,10-13H2,1-4H3
InChIKeyMHXWJXWJKYXESC-UHFFFAOYSA-N
XLogP2.37
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-butan-2-yl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine (CID 64847296) is 5-butan-2-yl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine is CCC(C)C1CN(CCn2cccn2)C(C)(CC)CN1.
What is the InChIKey of 5-butan-2-yl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine?
The InChIKey is MHXWJXWJKYXESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-14(3)15-12-19(16(4,6-2)13-17-15)10-11-20-9-7-8-18-20/h7-9,14-15,17H,5-6,10-13H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine?
5-butan-2-yl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine has a molecular weight of 278.44 g/mol, XLogP of 2.37, 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-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine is sourced from PubChem (CID 64847296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).