5-tert-butyl-1-(1-methylpyrazol-3-yl)-2-propan-2-ylpiperazine

C15H28N4 — CID 79786714

IUPAC5-tert-butyl-1-(1-methylpyrazol-3-yl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C(C)(C)C)CN1c1ccn(C)n1
InChIInChI=1S/C15H28N4/c1-11(2)12-9-16-13(15(3,4)5)10-19(12)14-7-8-18(6)17-14/h7-8,11-13,16H,9-10H2,1-6H3
InChIKeyMUUFDBQGJLJCPJ-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.27
Rot. Bonds2

About 5-tert-butyl-1-(1-methylpyrazol-3-yl)-2-propan-2-ylpiperazine

5-tert-butyl-1-(1-methylpyrazol-3-yl)-2-propan-2-ylpiperazine (PubChem CID 79786714) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 5-tert-butyl-1-(1-methylpyrazol-3-yl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-(1-methylpyrazol-3-yl)-2-propan-2-ylpiperazine
PubChem CID79786714
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name5-tert-butyl-1-(1-methylpyrazol-3-yl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C(C)(C)C)CN1c1ccn(C)n1
InChIInChI=1S/C15H28N4/c1-11(2)12-9-16-13(15(3,4)5)10-19(12)14-7-8-18(6)17-14/h7-8,11-13,16H,9-10H2,1-6H3
InChIKeyMUUFDBQGJLJCPJ-UHFFFAOYSA-N
XLogP2.27
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-tert-butyl-1-(1-methylpyrazol-3-yl)-2-propan-2-ylpiperazine 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-tert-butyl-1-(1-methylpyrazol-3-yl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-tert-butyl-1-(1-methylpyrazol-3-yl)-2-propan-2-ylpiperazine (CID 79786714) is 5-tert-butyl-1-(1-methylpyrazol-3-yl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-(1-methylpyrazol-3-yl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-tert-butyl-1-(1-methylpyrazol-3-yl)-2-propan-2-ylpiperazine is CC(C)C1CNC(C(C)(C)C)CN1c1ccn(C)n1.
What is the InChIKey of 5-tert-butyl-1-(1-methylpyrazol-3-yl)-2-propan-2-ylpiperazine?
The InChIKey is MUUFDBQGJLJCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-11(2)12-9-16-13(15(3,4)5)10-19(12)14-7-8-18(6)17-14/h7-8,11-13,16H,9-10H2,1-6H3.
What are the key properties of 5-tert-butyl-1-(1-methylpyrazol-3-yl)-2-propan-2-ylpiperazine?
5-tert-butyl-1-(1-methylpyrazol-3-yl)-2-propan-2-ylpiperazine has a molecular weight of 264.42 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(1-methylpyrazol-3-yl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 79786714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).