2,3,5-trimethyl-1-[3-(2,3,5-trimethylpyrazol-2-ium-1-yl)propyl]pyrazol-2-ium

C15H26N4+2 — CID 67973085

IUPAC2,3,5-trimethyl-1-[3-(2,3,5-trimethylpyrazol-2-ium-1-yl)propyl]pyrazol-2-ium
SMILESCc1cc(C)[n+](C)n1CCCn1c(C)cc(C)[n+]1C
InChIInChI=1S/C15H26N4/c1-12-10-14(3)18(16(12)5)8-7-9-19-15(4)11-13(2)17(19)6/h10-11H,7-9H2,1-6H3/q+2
InChIKeyUOEKZADJULUSEY-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.26
Rot. Bonds4

About 2,3,5-trimethyl-1-[3-(2,3,5-trimethylpyrazol-2-ium-1-yl)propyl]pyrazol-2-ium

2,3,5-trimethyl-1-[3-(2,3,5-trimethylpyrazol-2-ium-1-yl)propyl]pyrazol-2-ium (PubChem CID 67973085) has the molecular formula C15H26N4+2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2,3,5-trimethyl-1-[3-(2,3,5-trimethylpyrazol-2-ium-1-yl)propyl]pyrazol-2-ium.

Molecular Properties

Compound Name2,3,5-trimethyl-1-[3-(2,3,5-trimethylpyrazol-2-ium-1-yl)propyl]pyrazol-2-ium
PubChem CID67973085
Molecular FormulaC15H26N4+2
Molecular Weight262.40 g/mol
Exact Mass262.21
IUPAC Name2,3,5-trimethyl-1-[3-(2,3,5-trimethylpyrazol-2-ium-1-yl)propyl]pyrazol-2-ium
SMILESCc1cc(C)[n+](C)n1CCCn1c(C)cc(C)[n+]1C
InChIInChI=1S/C15H26N4/c1-12-10-14(3)18(16(12)5)8-7-9-19-15(4)11-13(2)17(19)6/h10-11H,7-9H2,1-6H3/q+2
InChIKeyUOEKZADJULUSEY-UHFFFAOYSA-N
XLogP1.26
TPSA17.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-1-[3-(2,3,5-trimethylpyrazol-2-ium-1-yl)propyl]pyrazol-2-ium?
The IUPAC name of 2,3,5-trimethyl-1-[3-(2,3,5-trimethylpyrazol-2-ium-1-yl)propyl]pyrazol-2-ium (CID 67973085) is 2,3,5-trimethyl-1-[3-(2,3,5-trimethylpyrazol-2-ium-1-yl)propyl]pyrazol-2-ium.
What is the SMILES notation for 2,3,5-trimethyl-1-[3-(2,3,5-trimethylpyrazol-2-ium-1-yl)propyl]pyrazol-2-ium?
The canonical SMILES for 2,3,5-trimethyl-1-[3-(2,3,5-trimethylpyrazol-2-ium-1-yl)propyl]pyrazol-2-ium is Cc1cc(C)[n+](C)n1CCCn1c(C)cc(C)[n+]1C.
What is the InChIKey of 2,3,5-trimethyl-1-[3-(2,3,5-trimethylpyrazol-2-ium-1-yl)propyl]pyrazol-2-ium?
The InChIKey is UOEKZADJULUSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12-10-14(3)18(16(12)5)8-7-9-19-15(4)11-13(2)17(19)6/h10-11H,7-9H2,1-6H3/q+2.
What are the key properties of 2,3,5-trimethyl-1-[3-(2,3,5-trimethylpyrazol-2-ium-1-yl)propyl]pyrazol-2-ium?
2,3,5-trimethyl-1-[3-(2,3,5-trimethylpyrazol-2-ium-1-yl)propyl]pyrazol-2-ium has a molecular weight of 262.40 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-1-[3-(2,3,5-trimethylpyrazol-2-ium-1-yl)propyl]pyrazol-2-ium is sourced from PubChem (CID 67973085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).