7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium

C11H13N2+ — CID 12798107

IUPAC7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium
SMILESCc1ccc2c(c1)c[n+]1n2CCC1
InChIInChI=1S/C11H13N2/c1-9-3-4-11-10(7-9)8-12-5-2-6-13(11)12/h3-4,7-8H,2,5-6H2,1H3/q+1
InChIKeyGODOFVYRRPUBJU-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.64
Rot. Bonds

About 7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium

7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium (PubChem CID 12798107) has the molecular formula C11H13N2+ and a molecular weight of 173.24 g/mol. Its IUPAC name is 7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium.

Molecular Properties

Compound Name7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium
PubChem CID12798107
Molecular FormulaC11H13N2+
Molecular Weight173.24 g/mol
Exact Mass173.11
IUPAC Name7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium
SMILESCc1ccc2c(c1)c[n+]1n2CCC1
InChIInChI=1S/C11H13N2/c1-9-3-4-11-10(7-9)8-12-5-2-6-13(11)12/h3-4,7-8H,2,5-6H2,1H3/q+1
InChIKeyGODOFVYRRPUBJU-UHFFFAOYSA-N
XLogP1.64
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.64
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 7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium?
The IUPAC name of 7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium (CID 12798107) is 7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium.
What is the SMILES notation for 7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium?
The canonical SMILES for 7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium is Cc1ccc2c(c1)c[n+]1n2CCC1.
What is the InChIKey of 7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium?
The InChIKey is GODOFVYRRPUBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N2/c1-9-3-4-11-10(7-9)8-12-5-2-6-13(11)12/h3-4,7-8H,2,5-6H2,1H3/q+1.
What are the key properties of 7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium?
7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium has a molecular weight of 173.24 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium is sourced from PubChem (CID 12798107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).