1-(5-bromo-2H-indazol-3-yl)-2-methylpropan-1-amine

C11H14BrN3 — CID 83913468

IUPAC1-(5-bromo-2H-indazol-3-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C11H14BrN3/c1-6(2)10(13)11-8-5-7(12)3-4-9(8)14-15-11/h3-6,10H,13H2,1-2H3,(H,14,15)
InChIKeyFGNSTNSIELUHTL-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.98
Rot. Bonds2

About 1-(5-bromo-2H-indazol-3-yl)-2-methylpropan-1-amine

1-(5-bromo-2H-indazol-3-yl)-2-methylpropan-1-amine (PubChem CID 83913468) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 1-(5-bromo-2H-indazol-3-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2H-indazol-3-yl)-2-methylpropan-1-amine
PubChem CID83913468
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name1-(5-bromo-2H-indazol-3-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C11H14BrN3/c1-6(2)10(13)11-8-5-7(12)3-4-9(8)14-15-11/h3-6,10H,13H2,1-2H3,(H,14,15)
InChIKeyFGNSTNSIELUHTL-UHFFFAOYSA-N
XLogP2.98
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(5-bromo-2H-indazol-3-yl)acetic acid
CID 83913593
5-bromo-3-iodo-2H-indazole
CID 23156224
5-bromo-3-(fluoromethyl)-2H-indazole
CID 84692330
5-bromo-3-fluoro-2H-indazole
CID 66793399
5-bromo-3-methylsulfonyl-2H-indazole
CID 54229595
1-(5-bromo-2H-indazol-3-yl)cyclopropan-1-amine
CID 175349705
2-(5-bromo-2H-indazol-3-yl)-N-methylethanamine
CID 84729142
3,5-di(propan-2-yl)-2H-indazole
CID 58499067
3-benzyl-5-bromo-2H-indazole
CID 66915538
ethyl 2-(5-bromo-2H-indazol-3-yl)acetate
CID 54553122
5-bromo-3-cyclobutyl-2H-indazole
CID 66826429
1-(7-fluoro-2H-indazol-3-yl)-2-methylpropan-1-amine
CID 112716018

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2H-indazol-3-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(5-bromo-2H-indazol-3-yl)-2-methylpropan-1-amine (CID 83913468) is 1-(5-bromo-2H-indazol-3-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-2H-indazol-3-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-2H-indazol-3-yl)-2-methylpropan-1-amine is CC(C)C(N)c1[nH]nc2ccc(Br)cc12.
What is the InChIKey of 1-(5-bromo-2H-indazol-3-yl)-2-methylpropan-1-amine?
The InChIKey is FGNSTNSIELUHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-6(2)10(13)11-8-5-7(12)3-4-9(8)14-15-11/h3-6,10H,13H2,1-2H3,(H,14,15).
What are the key properties of 1-(5-bromo-2H-indazol-3-yl)-2-methylpropan-1-amine?
1-(5-bromo-2H-indazol-3-yl)-2-methylpropan-1-amine has a molecular weight of 268.16 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2H-indazol-3-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 83913468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).