2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ium

C6H9N2+ — CID 21043320

IUPAC2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ium
SMILESc1cn2[n+](c1)CCC2
InChIInChI=1S/C6H9N2/c1-3-7-5-2-6-8(7)4-1/h1,3-4H,2,5-6H2/q+1
InChIKeyVELLXGRFCNDSDB-UHFFFAOYSA-N
MW109.15 g/mol
LogP0.18
Rot. Bonds

About 2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ium

2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ium (PubChem CID 21043320) has the molecular formula C6H9N2+ and a molecular weight of 109.15 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ium.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ium
PubChem CID21043320
Molecular FormulaC6H9N2+
Molecular Weight109.15 g/mol
Exact Mass109.08
IUPAC Name2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ium
SMILESc1cn2[n+](c1)CCC2
InChIInChI=1S/C6H9N2/c1-3-7-5-2-6-8(7)4-1/h1,3-4H,2,5-6H2/q+1
InChIKeyVELLXGRFCNDSDB-UHFFFAOYSA-N
XLogP0.18
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.15
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ium?
The IUPAC name of 2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ium (CID 21043320) is 2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ium.
What is the SMILES notation for 2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ium?
The canonical SMILES for 2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ium is c1cn2[n+](c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ium?
The InChIKey is VELLXGRFCNDSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2/c1-3-7-5-2-6-8(7)4-1/h1,3-4H,2,5-6H2/q+1.
What are the key properties of 2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ium?
2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ium has a molecular weight of 109.15 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ium is sourced from PubChem (CID 21043320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).