5-bromo-2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one

C11H11BrN2O2 — CID 166627176

IUPAC5-bromo-2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1c2cn(C(=O)C3CC3)nc2CCC1Br
InChIInChI=1S/C11H11BrN2O2/c12-8-3-4-9-7(10(8)15)5-14(13-9)11(16)6-1-2-6/h5-6,8H,1-4H2
InChIKeyURHIIXMAHWXCMY-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.83
Rot. Bonds1

About 5-bromo-2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one

5-bromo-2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 166627176) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 5-bromo-2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name5-bromo-2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID166627176
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name5-bromo-2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1c2cn(C(=O)C3CC3)nc2CCC1Br
InChIInChI=1S/C11H11BrN2O2/c12-8-3-4-9-7(10(8)15)5-14(13-9)11(16)6-1-2-6/h5-6,8H,1-4H2
InChIKeyURHIIXMAHWXCMY-UHFFFAOYSA-N
XLogP1.83
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one
CID 166627203
tert-butyl 5-bromo-4-oxo-6,7-dihydro-5H-indazole-1-carboxylate
CID 166629088
5,5-Dibromo-1-(cyclopropanecarbonyl)-6,7-dihydroindazol-4-one
CID 166630218
2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one
CID 166632413
1-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one
CID 166632542
5,5-Dibromo-2-(cyclopropanecarbonyl)-6,7-dihydroindazol-4-one
CID 166634513
tert-butyl 5-bromo-4-oxo-6,7-dihydro-5H-indazole-2-carboxylate
CID 166631688
tert-butyl 4-oxo-6,7-dihydro-5H-indazole-2-carboxylate
CID 57671289
2-propyl-6,7-dihydro-5H-indazol-4-one
CID 68059394
2-ethyl-6,7-dihydro-2H-indazol-4(5H)-one
CID 68059930
5-bromo-2-methyl-7-propyl-6,7-dihydro-5H-indazol-4-one
CID 89819521
5-bromo-1-methyl-6,7-dihydro-5H-indazol-4-one
CID 16122404

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 5-bromo-2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one (CID 166627176) is 5-bromo-2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 5-bromo-2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 5-bromo-2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one is O=C1c2cn(C(=O)C3CC3)nc2CCC1Br.
What is the InChIKey of 5-bromo-2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is URHIIXMAHWXCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-8-3-4-9-7(10(8)15)5-14(13-9)11(16)6-1-2-6/h5-6,8H,1-4H2.
What are the key properties of 5-bromo-2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one?
5-bromo-2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 283.12 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 166627176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).