6-bromo-1-methyl-N-phenylindazole-4-carboxamide

C15H12BrN3O — CID 162529243

IUPAC6-bromo-1-methyl-N-phenylindazole-4-carboxamide
SMILESCn1ncc2c(C(=O)Nc3ccccc3)cc(Br)cc21
InChIInChI=1S/C15H12BrN3O/c1-19-14-8-10(16)7-12(13(14)9-17-19)15(20)18-11-5-3-2-4-6-11/h2-9H,1H3,(H,18,20)
InChIKeyYZGLWTJNHFYABG-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.59
Rot. Bonds2

About 6-bromo-1-methyl-N-phenylindazole-4-carboxamide

6-bromo-1-methyl-N-phenylindazole-4-carboxamide (PubChem CID 162529243) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 6-bromo-1-methyl-N-phenylindazole-4-carboxamide.

Molecular Properties

Compound Name6-bromo-1-methyl-N-phenylindazole-4-carboxamide
PubChem CID162529243
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name6-bromo-1-methyl-N-phenylindazole-4-carboxamide
SMILESCn1ncc2c(C(=O)Nc3ccccc3)cc(Br)cc21
InChIInChI=1S/C15H12BrN3O/c1-19-14-8-10(16)7-12(13(14)9-17-19)15(20)18-11-5-3-2-4-6-11/h2-9H,1H3,(H,18,20)
InChIKeyYZGLWTJNHFYABG-UHFFFAOYSA-N
XLogP3.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-N-phenylindazole-4-carboxamide?
The IUPAC name of 6-bromo-1-methyl-N-phenylindazole-4-carboxamide (CID 162529243) is 6-bromo-1-methyl-N-phenylindazole-4-carboxamide.
What is the SMILES notation for 6-bromo-1-methyl-N-phenylindazole-4-carboxamide?
The canonical SMILES for 6-bromo-1-methyl-N-phenylindazole-4-carboxamide is Cn1ncc2c(C(=O)Nc3ccccc3)cc(Br)cc21.
What is the InChIKey of 6-bromo-1-methyl-N-phenylindazole-4-carboxamide?
The InChIKey is YZGLWTJNHFYABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-19-14-8-10(16)7-12(13(14)9-17-19)15(20)18-11-5-3-2-4-6-11/h2-9H,1H3,(H,18,20).
What are the key properties of 6-bromo-1-methyl-N-phenylindazole-4-carboxamide?
6-bromo-1-methyl-N-phenylindazole-4-carboxamide has a molecular weight of 330.19 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-N-phenylindazole-4-carboxamide is sourced from PubChem (CID 162529243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).