N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide

C15H12BrN3O — CID 9069923

IUPACN-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide
SMILESCc1cc(NC(=O)c2n[nH]c3ccccc23)ccc1Br
InChIInChI=1S/C15H12BrN3O/c1-9-8-10(6-7-12(9)16)17-15(20)14-11-4-2-3-5-13(11)18-19-14/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyHEASCCWOFFVOSM-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.89
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide

N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide (PubChem CID 9069923) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide
PubChem CID9069923
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC NameN-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide
SMILESCc1cc(NC(=O)c2n[nH]c3ccccc23)ccc1Br
InChIInChI=1S/C15H12BrN3O/c1-9-8-10(6-7-12(9)16)17-15(20)14-11-4-2-3-5-13(11)18-19-14/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyHEASCCWOFFVOSM-UHFFFAOYSA-N
XLogP3.89
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide
CID 60904873
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858386
N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 154796255
N-(2-bromophenyl)-1H-indazole-3-carboxamide
CID 60636355
N-quinolin-7-yl-1H-indazole-3-carboxamide
CID 28734040
N-(4-propan-2-ylphenyl)-1H-indazole-3-carboxamide
CID 42477807
N-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
CID 30694461
N-(3-bromo-5-methoxyphenyl)-1H-indazole-3-carboxamide
CID 82860621
2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid
CID 170858296
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858528
N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39896040

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide (CID 9069923) is N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide is Cc1cc(NC(=O)c2n[nH]c3ccccc23)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide?
The InChIKey is HEASCCWOFFVOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-9-8-10(6-7-12(9)16)17-15(20)14-11-4-2-3-5-13(11)18-19-14/h2-8H,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide?
N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide has a molecular weight of 330.19 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 9069923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).