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

C15H13BrN4O — CID 60904873

IUPAC5-amino-N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide
SMILESCc1cc(NC(=O)c2n[nH]c3ccc(N)cc23)ccc1Br
InChIInChI=1S/C15H13BrN4O/c1-8-6-10(3-4-12(8)16)18-15(21)14-11-7-9(17)2-5-13(11)19-20-14/h2-7H,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyZRWCGLSGMIXUAH-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.47
Rot. Bonds2

About 5-amino-N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide

5-amino-N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide (PubChem CID 60904873) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 5-amino-N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide
PubChem CID60904873
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name5-amino-N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide
SMILESCc1cc(NC(=O)c2n[nH]c3ccc(N)cc23)ccc1Br
InChIInChI=1S/C15H13BrN4O/c1-8-6-10(3-4-12(8)16)18-15(21)14-11-7-9(17)2-5-13(11)19-20-14/h2-7H,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyZRWCGLSGMIXUAH-UHFFFAOYSA-N
XLogP3.47
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide
CID 9069923
5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide
CID 60904871
5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide
CID 60905598
5-amino-N-(3-hydroxyphenyl)-1H-indazole-3-carboxamide
CID 61165913
5-amino-N-(5-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide
CID 60904758
5-amino-N-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 54944301
5-amino-N-(3-cyanophenyl)-1H-indazole-3-carboxamide
CID 60905939
5-amino-N-ethyl-1H-indazole-3-carboxamide
CID 60909138
5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indazole-3-carboxamide
CID 54944436
5-amino-N-(2-methyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 79042031
5-amino-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 60905133
5-amino-N-(2-bromo-3-chlorophenyl)-1H-indazole-3-carboxamide
CID 103477097

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide (CID 60904873) is 5-amino-N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide is Cc1cc(NC(=O)c2n[nH]c3ccc(N)cc23)ccc1Br.
What is the InChIKey of 5-amino-N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide?
The InChIKey is ZRWCGLSGMIXUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-8-6-10(3-4-12(8)16)18-15(21)14-11-7-9(17)2-5-13(11)19-20-14/h2-7H,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 5-amino-N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide?
5-amino-N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide has a molecular weight of 345.20 g/mol, XLogP of 3.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 60904873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).