1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-5,5-dimethylpiperazine

C16H30N4 — CID 64837936

IUPAC1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1Cc1ccn(C(C)CC)n1
InChIInChI=1S/C16H30N4/c1-6-13(3)20-9-8-14(18-20)11-19-12-16(4,5)17-10-15(19)7-2/h8-9,13,15,17H,6-7,10-12H2,1-5H3
InChIKeyLTFNMQLQDABQEI-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.82
Rot. Bonds5

About 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-5,5-dimethylpiperazine

1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-5,5-dimethylpiperazine (PubChem CID 64837936) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-5,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-5,5-dimethylpiperazine
PubChem CID64837936
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1Cc1ccn(C(C)CC)n1
InChIInChI=1S/C16H30N4/c1-6-13(3)20-9-8-14(18-20)11-19-12-16(4,5)17-10-15(19)7-2/h8-9,13,15,17H,6-7,10-12H2,1-5H3
InChIKeyLTFNMQLQDABQEI-UHFFFAOYSA-N
XLogP2.82
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-5,5-dimethylpiperazine with MolForge

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

Launch Full Analysis

Related Compounds

2,5-diethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82871948
2-butan-2-yl-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64845053
2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine
CID 64940709
1-[(2,6-difluorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 114934579
1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64840451
2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64840265
5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64947439
5,5-dimethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine
CID 64838551
1-butan-2-yl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyrazole
CID 64783273
3-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408622
5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644864
2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine
CID 82745822

Frequently Asked Questions

What is the IUPAC name of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-5,5-dimethylpiperazine?
The IUPAC name of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-5,5-dimethylpiperazine (CID 64837936) is 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-5,5-dimethylpiperazine.
What is the SMILES notation for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-5,5-dimethylpiperazine?
The canonical SMILES for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-5,5-dimethylpiperazine is CCC1CNC(C)(C)CN1Cc1ccn(C(C)CC)n1.
What is the InChIKey of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-5,5-dimethylpiperazine?
The InChIKey is LTFNMQLQDABQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-13(3)20-9-8-14(18-20)11-19-12-16(4,5)17-10-15(19)7-2/h8-9,13,15,17H,6-7,10-12H2,1-5H3.
What are the key properties of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-5,5-dimethylpiperazine?
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-5,5-dimethylpiperazine has a molecular weight of 278.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-5,5-dimethylpiperazine is sourced from PubChem (CID 64837936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).