N-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide

C15H12BrN3O — CID 62921443

IUPACN-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C15H12BrN3O/c1-9-2-5-12(16)7-13(9)18-15(20)10-3-4-11-8-17-19-14(11)6-10/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyMZSDJKNIRKOTSW-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.89
Rot. Bonds2

About N-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide

N-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide (PubChem CID 62921443) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide
PubChem CID62921443
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC NameN-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C15H12BrN3O/c1-9-2-5-12(16)7-13(9)18-15(20)10-3-4-11-8-17-19-14(11)6-10/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyMZSDJKNIRKOTSW-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

N-(5-bromo-2-chlorophenyl)-1H-indazole-6-carboxamide
CID 62909267
N-(4-bromo-2-fluorophenyl)-1H-indazole-6-carboxamide
CID 60716242
N-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide
CID 62907539
N-(2-chloro-4-methylphenyl)-1H-indazole-6-carboxamide
CID 60715106
N-(2-bromo-4-fluorophenyl)-1H-indazole-6-carboxamide
CID 62919566
5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 65311641
4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide
CID 115769574
N-(2-acetylphenyl)-1H-indazole-6-carboxamide
CID 110485418
N-(5-bromo-2-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 43806148
N-(5-bromo-2-methylphenyl)-4-methylbenzamide
CID 43806352
N-(6-methyl-2-pyridinyl)-1H-indazole-6-carboxamide
CID 55023758
N-(2,4-dichlorophenyl)-1H-indazole-6-carboxamide
CID 60715317

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide (CID 62921443) is N-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide is Cc1ccc(Br)cc1NC(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide?
The InChIKey is MZSDJKNIRKOTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-9-2-5-12(16)7-13(9)18-15(20)10-3-4-11-8-17-19-14(11)6-10/h2-8H,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide?
N-(5-bromo-2-methylphenyl)-1H-indazole-6-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-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 62921443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).