3-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-8-ium-6-ol chloride

C7H11ClN2O — CID 16682290

IUPAC3-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-8-ium-6-ol chloride
SMILESCc1cc[n+]2n1CC(O)C2.[Cl-]
InChIInChI=1S/C7H11N2O.ClH/c1-6-2-3-8-4-7(10)5-9(6)8;/h2-3,7,10H,4-5H2,1H3;1H/q+1;/p-1
InChIKeyMVTYILCWQDNJDN-UHFFFAOYSA-M
MW174.63 g/mol
LogP-3.54
Rot. Bonds

About 3-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-8-ium-6-ol chloride

3-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-8-ium-6-ol chloride (PubChem CID 16682290) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 3-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-8-ium-6-ol chloride.

Molecular Properties

Compound Name3-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-8-ium-6-ol chloride
PubChem CID16682290
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name3-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-8-ium-6-ol chloride
SMILESCc1cc[n+]2n1CC(O)C2.[Cl-]
InChIInChI=1S/C7H11N2O.ClH/c1-6-2-3-8-4-7(10)5-9(6)8;/h2-3,7,10H,4-5H2,1H3;1H/q+1;/p-1
InChIKeyMVTYILCWQDNJDN-UHFFFAOYSA-M
XLogP-3.54
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 5-3.54
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 3-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-8-ium-6-ol chloride?
The IUPAC name of 3-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-8-ium-6-ol chloride (CID 16682290) is 3-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-8-ium-6-ol chloride.
What is the SMILES notation for 3-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-8-ium-6-ol chloride?
The canonical SMILES for 3-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-8-ium-6-ol chloride is Cc1cc[n+]2n1CC(O)C2.[Cl-].
What is the InChIKey of 3-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-8-ium-6-ol chloride?
The InChIKey is MVTYILCWQDNJDN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11N2O.ClH/c1-6-2-3-8-4-7(10)5-9(6)8;/h2-3,7,10H,4-5H2,1H3;1H/q+1;/p-1.
What are the key properties of 3-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-8-ium-6-ol chloride?
3-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-8-ium-6-ol chloride has a molecular weight of 174.63 g/mol, XLogP of -3.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-8-ium-6-ol chloride is sourced from PubChem (CID 16682290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).