6H-pyrazolo[1,2-a]indazol-4-ium

C10H9N2+ — CID 57286573

IUPAC6H-pyrazolo[1,2-a]indazol-4-ium
SMILESC1=CCc2c[n+]3cccn3c2=C1
InChIInChI=1S/C10H9N2/c1-2-5-10-9(4-1)8-11-6-3-7-12(10)11/h1-3,5-8H,4H2/q+1
InChIKeyWUDRJQJQZKIRHQ-UHFFFAOYSA-N
MW157.20 g/mol
LogP0.14
Rot. Bonds

About 6H-pyrazolo[1,2-a]indazol-4-ium

6H-pyrazolo[1,2-a]indazol-4-ium (PubChem CID 57286573) has the molecular formula C10H9N2+ and a molecular weight of 157.20 g/mol. Its IUPAC name is 6H-pyrazolo[1,2-a]indazol-4-ium.

Molecular Properties

Compound Name6H-pyrazolo[1,2-a]indazol-4-ium
PubChem CID57286573
Molecular FormulaC10H9N2+
Molecular Weight157.20 g/mol
Exact Mass157.08
IUPAC Name6H-pyrazolo[1,2-a]indazol-4-ium
SMILESC1=CCc2c[n+]3cccn3c2=C1
InChIInChI=1S/C10H9N2/c1-2-5-10-9(4-1)8-11-6-3-7-12(10)11/h1-3,5-8H,4H2/q+1
InChIKeyWUDRJQJQZKIRHQ-UHFFFAOYSA-N
XLogP0.14
TPSA8.51 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 50.14
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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Related Compounds

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Iridium;1-[[4-(trifluoromethyl)benzene-6-id-1-yl]methyl]pyrazole
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1-(4-Fluorocyclohexa-1,3-dien-1-yl)pyrazole
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CID 171090123
3-methyl-1-[(5Z)-6-(trifluoromethyl)cycloocta-1,5,7-trien-1-yl]pyrazole
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Frequently Asked Questions

What is the IUPAC name of 6H-pyrazolo[1,2-a]indazol-4-ium?
The IUPAC name of 6H-pyrazolo[1,2-a]indazol-4-ium (CID 57286573) is 6H-pyrazolo[1,2-a]indazol-4-ium.
What is the SMILES notation for 6H-pyrazolo[1,2-a]indazol-4-ium?
The canonical SMILES for 6H-pyrazolo[1,2-a]indazol-4-ium is C1=CCc2c[n+]3cccn3c2=C1.
What is the InChIKey of 6H-pyrazolo[1,2-a]indazol-4-ium?
The InChIKey is WUDRJQJQZKIRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N2/c1-2-5-10-9(4-1)8-11-6-3-7-12(10)11/h1-3,5-8H,4H2/q+1.
What are the key properties of 6H-pyrazolo[1,2-a]indazol-4-ium?
6H-pyrazolo[1,2-a]indazol-4-ium has a molecular weight of 157.20 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-pyrazolo[1,2-a]indazol-4-ium is sourced from PubChem (CID 57286573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).