3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine

C15H28N4 — CID 64834620

IUPAC3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
SMILESCC(C)n1ccc(CN2CCNC(C(C)(C)C)C2)n1
InChIInChI=1S/C15H28N4/c1-12(2)19-8-6-13(17-19)10-18-9-7-16-14(11-18)15(3,4)5/h6,8,12,14,16H,7,9-11H2,1-5H3
InChIKeyQBDOONQAXCSHEB-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.28
Rot. Bonds3

About 3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine

3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine (PubChem CID 64834620) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
PubChem CID64834620
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
SMILESCC(C)n1ccc(CN2CCNC(C(C)(C)C)C2)n1
InChIInChI=1S/C15H28N4/c1-12(2)19-8-6-13(17-19)10-18-9-7-16-14(11-18)15(3,4)5/h6,8,12,14,16H,7,9-11H2,1-5H3
InChIKeyQBDOONQAXCSHEB-UHFFFAOYSA-N
XLogP2.28
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine 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

1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64771238
N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905844
3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114502720
[4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]methanol
CID 115824593
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918076
N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine
CID 64771689
2-tert-butyl-5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64844786
3-tert-butyl-1-(2-methylpropyl)piperazine
CID 64833220
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 64771254
3,7-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepane
CID 64871956
3-tert-butyl-1-[(2,5-dimethylphenyl)methyl]piperazine
CID 64834227
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80553361

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine?
The IUPAC name of 3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine (CID 64834620) is 3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine is CC(C)n1ccc(CN2CCNC(C(C)(C)C)C2)n1.
What is the InChIKey of 3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine?
The InChIKey is QBDOONQAXCSHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-12(2)19-8-6-13(17-19)10-18-9-7-16-14(11-18)15(3,4)5/h6,8,12,14,16H,7,9-11H2,1-5H3.
What are the key properties of 3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine?
3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine has a molecular weight of 264.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 64834620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).