1-cyclohexyl-3-(ethylperoxymethyl)-4,5,6,7-tetrahydroindazole

C16H26N2O2 — CID 89226193

IUPAC1-cyclohexyl-3-(ethylperoxymethyl)-4,5,6,7-tetrahydroindazole
SMILESCCOOCc1nn(C2CCCCC2)c2c1CCCC2
InChIInChI=1S/C16H26N2O2/c1-2-19-20-12-15-14-10-6-7-11-16(14)18(17-15)13-8-4-3-5-9-13/h13H,2-12H2,1H3
InChIKeyHXLZEWXMKKDLAA-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.74
Rot. Bonds5

About 1-cyclohexyl-3-(ethylperoxymethyl)-4,5,6,7-tetrahydroindazole

1-cyclohexyl-3-(ethylperoxymethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 89226193) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-(ethylperoxymethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-cyclohexyl-3-(ethylperoxymethyl)-4,5,6,7-tetrahydroindazole
PubChem CID89226193
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-cyclohexyl-3-(ethylperoxymethyl)-4,5,6,7-tetrahydroindazole
SMILESCCOOCc1nn(C2CCCCC2)c2c1CCCC2
InChIInChI=1S/C16H26N2O2/c1-2-19-20-12-15-14-10-6-7-11-16(14)18(17-15)13-8-4-3-5-9-13/h13H,2-12H2,1H3
InChIKeyHXLZEWXMKKDLAA-UHFFFAOYSA-N
XLogP3.74
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(ethylperoxymethyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-cyclohexyl-3-(ethylperoxymethyl)-4,5,6,7-tetrahydroindazole (CID 89226193) is 1-cyclohexyl-3-(ethylperoxymethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-cyclohexyl-3-(ethylperoxymethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-cyclohexyl-3-(ethylperoxymethyl)-4,5,6,7-tetrahydroindazole is CCOOCc1nn(C2CCCCC2)c2c1CCCC2.
What is the InChIKey of 1-cyclohexyl-3-(ethylperoxymethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is HXLZEWXMKKDLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-19-20-12-15-14-10-6-7-11-16(14)18(17-15)13-8-4-3-5-9-13/h13H,2-12H2,1H3.
What are the key properties of 1-cyclohexyl-3-(ethylperoxymethyl)-4,5,6,7-tetrahydroindazole?
1-cyclohexyl-3-(ethylperoxymethyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 278.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(ethylperoxymethyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 89226193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).