2-tert-butyl-5-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine

C17H30N4 — CID 64861095

IUPAC2-tert-butyl-5-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine
SMILESCCn1cc(CN2CC(C3CC3)NCC2C(C)(C)C)cn1
InChIInChI=1S/C17H30N4/c1-5-21-11-13(8-19-21)10-20-12-15(14-6-7-14)18-9-16(20)17(2,3)4/h8,11,14-16,18H,5-7,9-10,12H2,1-4H3
InChIKeyYXTGDLIVMBJSHH-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.50
Rot. Bonds4

About 2-tert-butyl-5-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine

2-tert-butyl-5-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine (PubChem CID 64861095) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-tert-butyl-5-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine
PubChem CID64861095
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-tert-butyl-5-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine
SMILESCCn1cc(CN2CC(C3CC3)NCC2C(C)(C)C)cn1
InChIInChI=1S/C17H30N4/c1-5-21-11-13(8-19-21)10-20-12-15(14-6-7-14)18-9-16(20)17(2,3)4/h8,11,14-16,18H,5-7,9-10,12H2,1-4H3
InChIKeyYXTGDLIVMBJSHH-UHFFFAOYSA-N
XLogP2.50
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-5-cyclopropyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine
CID 102879656
2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64842153
1-butyl-2-tert-butyl-5-cyclopropylpiperazine
CID 64861474
4-ethyl-5-[(1-ethylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208758
2-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-5-propylpiperazine
CID 64846772
2-cyclohexyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine
CID 64846043
1-butyl-2-tert-butyl-5-cyclohexylpiperazine
CID 64859625
2-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]-2,5-dimethylpiperazine
CID 64844969
[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 62128080
tert-butyl (2R)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylate
CID 115537639
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 62126920
5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 64860864

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 2-tert-butyl-5-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine (CID 64861095) is 2-tert-butyl-5-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 2-tert-butyl-5-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 2-tert-butyl-5-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine is CCn1cc(CN2CC(C3CC3)NCC2C(C)(C)C)cn1.
What is the InChIKey of 2-tert-butyl-5-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine?
The InChIKey is YXTGDLIVMBJSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-21-11-13(8-19-21)10-20-12-15(14-6-7-14)18-9-16(20)17(2,3)4/h8,11,14-16,18H,5-7,9-10,12H2,1-4H3.
What are the key properties of 2-tert-butyl-5-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine?
2-tert-butyl-5-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine has a molecular weight of 290.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 64861095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).