2-ethyl-1-phenylindazol-2-ium

C15H15N2+ — CID 102532299

IUPAC2-ethyl-1-phenylindazol-2-ium
SMILESCC[n+]1cc2ccccc2n1-c1ccccc1
InChIInChI=1S/C15H15N2/c1-2-16-12-13-8-6-7-11-15(13)17(16)14-9-4-3-5-10-14/h3-12H,2H2,1H3/q+1
InChIKeyQFKCEOKNRQHAGB-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.94
Rot. Bonds2

About 2-ethyl-1-phenylindazol-2-ium

2-ethyl-1-phenylindazol-2-ium (PubChem CID 102532299) has the molecular formula C15H15N2+ and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-ethyl-1-phenylindazol-2-ium.

Molecular Properties

Compound Name2-ethyl-1-phenylindazol-2-ium
PubChem CID102532299
Molecular FormulaC15H15N2+
Molecular Weight223.30 g/mol
Exact Mass223.12
IUPAC Name2-ethyl-1-phenylindazol-2-ium
SMILESCC[n+]1cc2ccccc2n1-c1ccccc1
InChIInChI=1S/C15H15N2/c1-2-16-12-13-8-6-7-11-15(13)17(16)14-9-4-3-5-10-14/h3-12H,2H2,1H3/q+1
InChIKeyQFKCEOKNRQHAGB-UHFFFAOYSA-N
XLogP2.94
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.94
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

1-butyl-2-ethylindazol-2-ium
CID 132969090
2-ethyl-3,5-dimethyl-1-phenylpyrazol-2-ium
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1-(2,6-dimethylphenyl)-3-(1-methylindazol-2-ium-2-yl)propan-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-phenylindazol-2-ium?
The IUPAC name of 2-ethyl-1-phenylindazol-2-ium (CID 102532299) is 2-ethyl-1-phenylindazol-2-ium.
What is the SMILES notation for 2-ethyl-1-phenylindazol-2-ium?
The canonical SMILES for 2-ethyl-1-phenylindazol-2-ium is CC[n+]1cc2ccccc2n1-c1ccccc1.
What is the InChIKey of 2-ethyl-1-phenylindazol-2-ium?
The InChIKey is QFKCEOKNRQHAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N2/c1-2-16-12-13-8-6-7-11-15(13)17(16)14-9-4-3-5-10-14/h3-12H,2H2,1H3/q+1.
What are the key properties of 2-ethyl-1-phenylindazol-2-ium?
2-ethyl-1-phenylindazol-2-ium has a molecular weight of 223.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-phenylindazol-2-ium is sourced from PubChem (CID 102532299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).