1-(4-bromophenyl)-3-indazol-1-ylpyrrolidin-2-one

C17H14BrN3O — CID 118373035

IUPAC1-(4-bromophenyl)-3-indazol-1-ylpyrrolidin-2-one
SMILESO=C1C(n2ncc3ccccc32)CCN1c1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3O/c18-13-5-7-14(8-6-13)20-10-9-16(17(20)22)21-15-4-2-1-3-12(15)11-19-21/h1-8,11,16H,9-10H2
InChIKeyQACNJFLZZOLXRQ-UHFFFAOYSA-N
MW356.22 g/mol
LogP3.78
Rot. Bonds2

About 1-(4-bromophenyl)-3-indazol-1-ylpyrrolidin-2-one

1-(4-bromophenyl)-3-indazol-1-ylpyrrolidin-2-one (PubChem CID 118373035) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-indazol-1-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-indazol-1-ylpyrrolidin-2-one
PubChem CID118373035
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC Name1-(4-bromophenyl)-3-indazol-1-ylpyrrolidin-2-one
SMILESO=C1C(n2ncc3ccccc32)CCN1c1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3O/c18-13-5-7-14(8-6-13)20-10-9-16(17(20)22)21-15-4-2-1-3-12(15)11-19-21/h1-8,11,16H,9-10H2
InChIKeyQACNJFLZZOLXRQ-UHFFFAOYSA-N
XLogP3.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-indazol-1-ylpyrrolidin-2-one?
The IUPAC name of 1-(4-bromophenyl)-3-indazol-1-ylpyrrolidin-2-one (CID 118373035) is 1-(4-bromophenyl)-3-indazol-1-ylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-indazol-1-ylpyrrolidin-2-one?
The canonical SMILES for 1-(4-bromophenyl)-3-indazol-1-ylpyrrolidin-2-one is O=C1C(n2ncc3ccccc32)CCN1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-indazol-1-ylpyrrolidin-2-one?
The InChIKey is QACNJFLZZOLXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O/c18-13-5-7-14(8-6-13)20-10-9-16(17(20)22)21-15-4-2-1-3-12(15)11-19-21/h1-8,11,16H,9-10H2.
What are the key properties of 1-(4-bromophenyl)-3-indazol-1-ylpyrrolidin-2-one?
1-(4-bromophenyl)-3-indazol-1-ylpyrrolidin-2-one has a molecular weight of 356.22 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-indazol-1-ylpyrrolidin-2-one is sourced from PubChem (CID 118373035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).