5-tert-butyl-2-propyl-1-(2-pyrazol-1-ylethyl)piperazine

C16H30N4 — CID 64841244

IUPAC5-tert-butyl-2-propyl-1-(2-pyrazol-1-ylethyl)piperazine
SMILESCCCC1CNC(C(C)(C)C)CN1CCn1cccn1
InChIInChI=1S/C16H30N4/c1-5-7-14-12-17-15(16(2,3)4)13-19(14)10-11-20-9-6-8-18-20/h6,8-9,14-15,17H,5,7,10-13H2,1-4H3
InChIKeyNFVJBEPUSIBHCJ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.37
Rot. Bonds5

About 5-tert-butyl-2-propyl-1-(2-pyrazol-1-ylethyl)piperazine

5-tert-butyl-2-propyl-1-(2-pyrazol-1-ylethyl)piperazine (PubChem CID 64841244) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 5-tert-butyl-2-propyl-1-(2-pyrazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-propyl-1-(2-pyrazol-1-ylethyl)piperazine
PubChem CID64841244
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name5-tert-butyl-2-propyl-1-(2-pyrazol-1-ylethyl)piperazine
SMILESCCCC1CNC(C(C)(C)C)CN1CCn1cccn1
InChIInChI=1S/C16H30N4/c1-5-7-14-12-17-15(16(2,3)4)13-19(14)10-11-20-9-6-8-18-20/h6,8-9,14-15,17H,5,7,10-13H2,1-4H3
InChIKeyNFVJBEPUSIBHCJ-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-propyl-1-(2-pyrazol-1-ylethyl)piperazine?
The IUPAC name of 5-tert-butyl-2-propyl-1-(2-pyrazol-1-ylethyl)piperazine (CID 64841244) is 5-tert-butyl-2-propyl-1-(2-pyrazol-1-ylethyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-propyl-1-(2-pyrazol-1-ylethyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-propyl-1-(2-pyrazol-1-ylethyl)piperazine is CCCC1CNC(C(C)(C)C)CN1CCn1cccn1.
What is the InChIKey of 5-tert-butyl-2-propyl-1-(2-pyrazol-1-ylethyl)piperazine?
The InChIKey is NFVJBEPUSIBHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-7-14-12-17-15(16(2,3)4)13-19(14)10-11-20-9-6-8-18-20/h6,8-9,14-15,17H,5,7,10-13H2,1-4H3.
What are the key properties of 5-tert-butyl-2-propyl-1-(2-pyrazol-1-ylethyl)piperazine?
5-tert-butyl-2-propyl-1-(2-pyrazol-1-ylethyl)piperazine has a molecular weight of 278.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-propyl-1-(2-pyrazol-1-ylethyl)piperazine is sourced from PubChem (CID 64841244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).