2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine

C17H32N4 — CID 103016319

IUPAC2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine
SMILESCC(C)CC1CNC(C(C)C)CN1CCc1cnn(C)c1
InChIInChI=1S/C17H32N4/c1-13(2)8-16-10-18-17(14(3)4)12-21(16)7-6-15-9-19-20(5)11-15/h9,11,13-14,16-18H,6-8,10,12H2,1-5H3
InChIKeySBKYQKRRUPKPBY-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.31
Rot. Bonds6

About 2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine

2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine (PubChem CID 103016319) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine
PubChem CID103016319
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine
SMILESCC(C)CC1CNC(C(C)C)CN1CCc1cnn(C)c1
InChIInChI=1S/C17H32N4/c1-13(2)8-16-10-18-17(14(3)4)12-21(16)7-6-15-9-19-20(5)11-15/h9,11,13-14,16-18H,6-8,10,12H2,1-5H3
InChIKeySBKYQKRRUPKPBY-UHFFFAOYSA-N
XLogP2.31
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane
CID 103016723
5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine
CID 103016459
2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]-5-propan-2-ylpiperazine
CID 107055514
2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine
CID 64838464
1,2-bis(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64838842
2,2-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine
CID 103016327
5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine
CID 64849123
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 104812394
1-(3-methylbut-2-enyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 114014084
1-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64837878
1-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64838073
2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine
CID 64833712

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine?
The IUPAC name of 2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine (CID 103016319) is 2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine?
The canonical SMILES for 2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine is CC(C)CC1CNC(C(C)C)CN1CCc1cnn(C)c1.
What is the InChIKey of 2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine?
The InChIKey is SBKYQKRRUPKPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-13(2)8-16-10-18-17(14(3)4)12-21(16)7-6-15-9-19-20(5)11-15/h9,11,13-14,16-18H,6-8,10,12H2,1-5H3.
What are the key properties of 2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine?
2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine has a molecular weight of 292.47 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine is sourced from PubChem (CID 103016319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).