1-benzoylindazole-3-carboxamide

C15H11N3O2 — CID 71818550

IUPAC1-benzoylindazole-3-carboxamide
SMILESNC(=O)c1nn(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C15H11N3O2/c16-14(19)13-11-8-4-5-9-12(11)18(17-13)15(20)10-6-2-1-3-7-10/h1-9H,(H2,16,19)
InChIKeyXMHJKAUBZUMAKX-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.82
Rot. Bonds2

About 1-benzoylindazole-3-carboxamide

1-benzoylindazole-3-carboxamide (PubChem CID 71818550) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-benzoylindazole-3-carboxamide.

Molecular Properties

Compound Name1-benzoylindazole-3-carboxamide
PubChem CID71818550
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name1-benzoylindazole-3-carboxamide
SMILESNC(=O)c1nn(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C15H11N3O2/c16-14(19)13-11-8-4-5-9-12(11)18(17-13)15(20)10-6-2-1-3-7-10/h1-9H,(H2,16,19)
InChIKeyXMHJKAUBZUMAKX-UHFFFAOYSA-N
XLogP1.82
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzoylindazole-3-carboxamide?
The IUPAC name of 1-benzoylindazole-3-carboxamide (CID 71818550) is 1-benzoylindazole-3-carboxamide.
What is the SMILES notation for 1-benzoylindazole-3-carboxamide?
The canonical SMILES for 1-benzoylindazole-3-carboxamide is NC(=O)c1nn(C(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzoylindazole-3-carboxamide?
The InChIKey is XMHJKAUBZUMAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c16-14(19)13-11-8-4-5-9-12(11)18(17-13)15(20)10-6-2-1-3-7-10/h1-9H,(H2,16,19).
What are the key properties of 1-benzoylindazole-3-carboxamide?
1-benzoylindazole-3-carboxamide has a molecular weight of 265.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoylindazole-3-carboxamide is sourced from PubChem (CID 71818550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).