1,3-dimethyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride

C8H13ClN2O — CID 17389240

IUPAC1,3-dimethyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride
SMILESCc1cc(C)[n+]2n1CC(O)C2.[Cl-]
InChIInChI=1S/C8H13N2O.ClH/c1-6-3-7(2)10-5-8(11)4-9(6)10;/h3,8,11H,4-5H2,1-2H3;1H/q+1;/p-1
InChIKeyHFMKAEJRXMXAPT-UHFFFAOYSA-M
MW188.66 g/mol
LogP-3.23
Rot. Bonds

About 1,3-dimethyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride

1,3-dimethyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride (PubChem CID 17389240) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 1,3-dimethyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride.

Molecular Properties

Compound Name1,3-dimethyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride
PubChem CID17389240
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name1,3-dimethyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride
SMILESCc1cc(C)[n+]2n1CC(O)C2.[Cl-]
InChIInChI=1S/C8H13N2O.ClH/c1-6-3-7(2)10-5-8(11)4-9(6)10;/h3,8,11H,4-5H2,1-2H3;1H/q+1;/p-1
InChIKeyHFMKAEJRXMXAPT-UHFFFAOYSA-M
XLogP-3.23
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 5-3.23
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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Related Compounds

2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 259665
2-Hydroxy-7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ylium
CID 16682290
1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole
CID 21014234
Ethanol, 2-[bis[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]amino]-
CID 2755571
2,8,9-Trioxa-5-aza-1-germabicyclo(3.3.3)undecane, 1-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-
CID 16684629
2-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]ethanol
CID 19619759
2-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanol
CID 89833798
1-Chloro-3-[2-(3-chloro-2-hydroxypropyl)-3,5-dimethylpyrazol-2-ium-1-yl]propan-2-ol
CID 4070029
1,5-Bis(3,5-di-methylpyrazol-1-yl)-3-oxapentane
CID 12161771
1,3-Bis(3,5-dimethylpyrazol-1-yl)-2-propanol
CID 12603688
3,5-Dimethyl-1-hydroxymethylpyrazol hydrochloride
CID 23166942
5-Methyl-2,3-dihydro-1H-4lambda(5)-pyrazolo(1,2-a)pyrazol-2-ol
CID 418580

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride?
The IUPAC name of 1,3-dimethyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride (CID 17389240) is 1,3-dimethyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride.
What is the SMILES notation for 1,3-dimethyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride?
The canonical SMILES for 1,3-dimethyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride is Cc1cc(C)[n+]2n1CC(O)C2.[Cl-].
What is the InChIKey of 1,3-dimethyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride?
The InChIKey is HFMKAEJRXMXAPT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H13N2O.ClH/c1-6-3-7(2)10-5-8(11)4-9(6)10;/h3,8,11H,4-5H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1,3-dimethyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride?
1,3-dimethyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride has a molecular weight of 188.66 g/mol, XLogP of -3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-ol chloride is sourced from PubChem (CID 17389240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).