1-(3,5-dibromo-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine

C11H12Br2N4 — CID 113398604

IUPAC1-(3,5-dibromo-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(C)c1)c1ncc(Br)cc1Br
InChIInChI=1S/C11H12Br2N4/c1-14-10(7-4-16-17(2)6-7)11-9(13)3-8(12)5-15-11/h3-6,10,14H,1-2H3
InChIKeyFVONDKJDSLQLEY-UHFFFAOYSA-N
MW360.05 g/mol
LogP2.65
Rot. Bonds3

About 1-(3,5-dibromo-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine

1-(3,5-dibromo-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (PubChem CID 113398604) has the molecular formula C11H12Br2N4 and a molecular weight of 360.05 g/mol. Its IUPAC name is 1-(3,5-dibromo-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(3,5-dibromo-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
PubChem CID113398604
Molecular FormulaC11H12Br2N4
Molecular Weight360.05 g/mol
Exact Mass357.94
IUPAC Name1-(3,5-dibromo-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(C)c1)c1ncc(Br)cc1Br
InChIInChI=1S/C11H12Br2N4/c1-14-10(7-4-16-17(2)6-7)11-9(13)3-8(12)5-15-11/h3-6,10,14H,1-2H3
InChIKeyFVONDKJDSLQLEY-UHFFFAOYSA-N
XLogP2.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.05
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dibromo-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 113398631
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 62688971
1-(3,5-dibromo-2-pyridinyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 104542845
1-(3,5-dibromo-2-pyridinyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114660600
1-(4-methoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485945
1-(2-chloro-5-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylmethanamine
CID 105395458
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 79713609
1-(2,3-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485943
[(4-chloro-1-methylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]hydrazine
CID 105268450
N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497258
1-(1-ethylimidazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65195336
1-(4-chloro-2,5-difluorophenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 115808682

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of 1-(3,5-dibromo-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (CID 113398604) is 1-(3,5-dibromo-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(3,5-dibromo-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for 1-(3,5-dibromo-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine is CNC(c1cnn(C)c1)c1ncc(Br)cc1Br.
What is the InChIKey of 1-(3,5-dibromo-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is FVONDKJDSLQLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N4/c1-14-10(7-4-16-17(2)6-7)11-9(13)3-8(12)5-15-11/h3-6,10,14H,1-2H3.
What are the key properties of 1-(3,5-dibromo-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
1-(3,5-dibromo-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 360.05 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 113398604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).