N-[(6-bromo-2-pyridinyl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine

C12H15BrN4 — CID 113357896

IUPACN-[(6-bromo-2-pyridinyl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCC(NCc1cccc(Br)n1)c1cnn(C)c1
InChIInChI=1S/C12H15BrN4/c1-9(10-6-15-17(2)8-10)14-7-11-4-3-5-12(13)16-11/h3-6,8-9,14H,7H2,1-2H3
InChIKeyRCLOZGGQQLLCCX-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.43
Rot. Bonds4

About N-[(6-bromo-2-pyridinyl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine

N-[(6-bromo-2-pyridinyl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 113357896) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID113357896
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCC(NCc1cccc(Br)n1)c1cnn(C)c1
InChIInChI=1S/C12H15BrN4/c1-9(10-6-15-17(2)8-10)14-7-11-4-3-5-12(13)16-11/h3-6,8-9,14H,7H2,1-2H3
InChIKeyRCLOZGGQQLLCCX-UHFFFAOYSA-N
XLogP2.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(6-bromo-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 59525951
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 112582155
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
(1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 103936797
N-[3-[1-[(6-bromo-2-pyridinyl)methylamino]ethyl]phenyl]acetamide
CID 115937822
N-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine
CID 112581921
2-N-[(6-bromo-2-pyridinyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 112582243
N-[(6-bromo-2-pyridinyl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 112582004
1-(1-methylpyrazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62881310
2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 62693064
N-[(6-bromo-2-pyridinyl)methyl]hexan-2-amine
CID 112582303
1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 79224959

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine (CID 113357896) is N-[(6-bromo-2-pyridinyl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine is CC(NCc1cccc(Br)n1)c1cnn(C)c1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is RCLOZGGQQLLCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-9(10-6-15-17(2)8-10)14-7-11-4-3-5-12(13)16-11/h3-6,8-9,14H,7H2,1-2H3.
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
N-[(6-bromo-2-pyridinyl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 295.18 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 113357896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).