5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide

C11H12BrN3O2 — CID 171512307

IUPAC5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide
SMILESCON(C)C(=O)c1nn(C)c2ccc(Br)cc12
InChIInChI=1S/C11H12BrN3O2/c1-14-9-5-4-7(12)6-8(9)10(13-14)11(16)15(2)17-3/h4-6H,1-3H3
InChIKeyWEKJCBLHWJZVKN-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.97
Rot. Bonds2

About 5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide

5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide (PubChem CID 171512307) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide
PubChem CID171512307
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide
SMILESCON(C)C(=O)c1nn(C)c2ccc(Br)cc12
InChIInChI=1S/C11H12BrN3O2/c1-14-9-5-4-7(12)6-8(9)10(13-14)11(16)15(2)17-3/h4-6H,1-3H3
InChIKeyWEKJCBLHWJZVKN-UHFFFAOYSA-N
XLogP1.97
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide?
The IUPAC name of 5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide (CID 171512307) is 5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide?
The canonical SMILES for 5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide is CON(C)C(=O)c1nn(C)c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide?
The InChIKey is WEKJCBLHWJZVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-14-9-5-4-7(12)6-8(9)10(13-14)11(16)15(2)17-3/h4-6H,1-3H3.
What are the key properties of 5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide?
5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide has a molecular weight of 298.14 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide is sourced from PubChem (CID 171512307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).