6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride

C6H9ClN2O — CID 6602752

IUPAC6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride
SMILESOC1Cn2ccc[n+]2C1.[Cl-]
InChIInChI=1S/C6H9N2O.ClH/c9-6-4-7-2-1-3-8(7)5-6;/h1-3,6,9H,4-5H2;1H/q+1;/p-1
InChIKeyBYBBDRGDEYLADB-UHFFFAOYSA-M
MW160.60 g/mol
LogP-3.85
Rot. Bonds

About 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride

6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride (PubChem CID 6602752) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride
PubChem CID6602752
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride
SMILESOC1Cn2ccc[n+]2C1.[Cl-]
InChIInChI=1S/C6H9N2O.ClH/c9-6-4-7-2-1-3-8(7)5-6;/h1-3,6,9H,4-5H2;1H/q+1;/p-1
InChIKeyBYBBDRGDEYLADB-UHFFFAOYSA-M
XLogP-3.85
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 5-3.85
H-Bond Donors ≤ 51
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 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride (CID 6602752) is 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride is OC1Cn2ccc[n+]2C1.[Cl-].
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride?
The InChIKey is BYBBDRGDEYLADB-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H9N2O.ClH/c9-6-4-7-2-1-3-8(7)5-6;/h1-3,6,9H,4-5H2;1H/q+1;/p-1.
What are the key properties of 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride?
6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride has a molecular weight of 160.60 g/mol, XLogP of -3.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride is sourced from PubChem (CID 6602752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).