3-amino-1-(3-bromo-1-methylindazol-5-yl)propan-1-one

C11H12BrN3O — CID 117453120

IUPAC3-amino-1-(3-bromo-1-methylindazol-5-yl)propan-1-one
SMILESCn1nc(Br)c2cc(C(=O)CCN)ccc21
InChIInChI=1S/C11H12BrN3O/c1-15-9-3-2-7(10(16)4-5-13)6-8(9)11(12)14-15/h2-3,6H,4-5,13H2,1H3
InChIKeyFGLHHPUWQSWJFD-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.87
Rot. Bonds3

About 3-amino-1-(3-bromo-1-methylindazol-5-yl)propan-1-one

3-amino-1-(3-bromo-1-methylindazol-5-yl)propan-1-one (PubChem CID 117453120) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 3-amino-1-(3-bromo-1-methylindazol-5-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-bromo-1-methylindazol-5-yl)propan-1-one
PubChem CID117453120
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name3-amino-1-(3-bromo-1-methylindazol-5-yl)propan-1-one
SMILESCn1nc(Br)c2cc(C(=O)CCN)ccc21
InChIInChI=1S/C11H12BrN3O/c1-15-9-3-2-7(10(16)4-5-13)6-8(9)11(12)14-15/h2-3,6H,4-5,13H2,1H3
InChIKeyFGLHHPUWQSWJFD-UHFFFAOYSA-N
XLogP1.87
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-1-(1-methyl-1H-indazol-3-yl)ethan-1-one
CID 103123692
(1-Methylindazol-5-yl)-(1-propyl-3-piperidyl)methanone
CID 121479159
2,3-Dimethyl-2H-indazole-5-carbaldehyde
CID 72207345
2-(3-Bromo-5-formylindazol-1-yl)acetic acid
CID 126623178
N-cyclopropyl-3-ethenyl-7-fluoro-1-methylindazole-5-carboxamide
CID 60034830
N-[(1S)-1-(4-bromophenyl)propyl]-1-[(2,4-difluorophenyl)methyl]-3-methylindazole-5-carboxamide
CID 71577400
(2,4-Difluorophenyl)-(1-methylindazol-5-yl)methanone
CID 85994053
3-(3-Fluoro-1-methylindazol-5-yl)-3-oxopropanenitrile
CID 142313342
(E)-3-anilino-2-(3-fluoro-1-methylindazole-5-carbonyl)prop-2-enenitrile
CID 142313347
3-(difluoromethyl)-N,1-dimethylindazole-5-carboxamide
CID 172750598
1-(difluoromethyl)-N,3-dimethylindazole-5-carboxamide
CID 172836256
1-[1-(Difluoromethyl)-3-methylindazol-5-yl]ethanone
CID 175614842

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-bromo-1-methylindazol-5-yl)propan-1-one?
The IUPAC name of 3-amino-1-(3-bromo-1-methylindazol-5-yl)propan-1-one (CID 117453120) is 3-amino-1-(3-bromo-1-methylindazol-5-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-bromo-1-methylindazol-5-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-bromo-1-methylindazol-5-yl)propan-1-one is Cn1nc(Br)c2cc(C(=O)CCN)ccc21.
What is the InChIKey of 3-amino-1-(3-bromo-1-methylindazol-5-yl)propan-1-one?
The InChIKey is FGLHHPUWQSWJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-15-9-3-2-7(10(16)4-5-13)6-8(9)11(12)14-15/h2-3,6H,4-5,13H2,1H3.
What are the key properties of 3-amino-1-(3-bromo-1-methylindazol-5-yl)propan-1-one?
3-amino-1-(3-bromo-1-methylindazol-5-yl)propan-1-one has a molecular weight of 282.14 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-bromo-1-methylindazol-5-yl)propan-1-one is sourced from PubChem (CID 117453120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).