2-amino-4-bromo-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide

C15H17BrN4O — CID 79704714

IUPAC2-amino-4-bromo-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
SMILESCn1ncc2c1CCCC2NC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C15H17BrN4O/c1-20-14-4-2-3-13(11(14)8-18-20)19-15(21)10-6-5-9(16)7-12(10)17/h5-8,13H,2-4,17H2,1H3,(H,19,21)
InChIKeyXICXRDMINGHKJO-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.57
Rot. Bonds2

About 2-amino-4-bromo-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide

2-amino-4-bromo-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide (PubChem CID 79704714) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
PubChem CID79704714
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name2-amino-4-bromo-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
SMILESCn1ncc2c1CCCC2NC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C15H17BrN4O/c1-20-14-4-2-3-13(11(14)8-18-20)19-15(21)10-6-5-9(16)7-12(10)17/h5-8,13H,2-4,17H2,1H3,(H,19,21)
InChIKeyXICXRDMINGHKJO-UHFFFAOYSA-N
XLogP2.57
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-bromo-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 61213666
5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 43063208
3-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 104741380
2-(4-bromophenyl)sulfanyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide
CID 55602413
2,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]furan-3-carboxamide
CID 94187673
3-hydroxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95159871
6-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 103696348
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 47027925
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide
CID 63979904
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 43712088
5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide
CID 47166057

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide (CID 79704714) is 2-amino-4-bromo-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide is Cn1ncc2c1CCCC2NC(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
The InChIKey is XICXRDMINGHKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-20-14-4-2-3-13(11(14)8-18-20)19-15(21)10-6-5-9(16)7-12(10)17/h5-8,13H,2-4,17H2,1H3,(H,19,21).
What are the key properties of 2-amino-4-bromo-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
2-amino-4-bromo-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide has a molecular weight of 349.23 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide is sourced from PubChem (CID 79704714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).