2-[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine

C12H15BrN4 — CID 80634768

IUPAC2-[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine
SMILESCc1nn(-c2ccc(CCN)cn2)c(C)c1Br
InChIInChI=1S/C12H15BrN4/c1-8-12(13)9(2)17(16-8)11-4-3-10(5-6-14)7-15-11/h3-4,7H,5-6,14H2,1-2H3
InChIKeyPOWNDYLVSCXSPC-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.15
Rot. Bonds3

About 2-[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine

2-[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine (PubChem CID 80634768) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 2-[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine
PubChem CID80634768
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name2-[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine
SMILESCc1nn(-c2ccc(CCN)cn2)c(C)c1Br
InChIInChI=1S/C12H15BrN4/c1-8-12(13)9(2)17(16-8)11-4-3-10(5-6-14)7-15-11/h3-4,7H,5-6,14H2,1-2H3
InChIKeyPOWNDYLVSCXSPC-UHFFFAOYSA-N
XLogP2.15
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine (CID 80634768) is 2-[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine is Cc1nn(-c2ccc(CCN)cn2)c(C)c1Br.
What is the InChIKey of 2-[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine?
The InChIKey is POWNDYLVSCXSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-8-12(13)9(2)17(16-8)11-4-3-10(5-6-14)7-15-11/h3-4,7H,5-6,14H2,1-2H3.
What are the key properties of 2-[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine?
2-[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine has a molecular weight of 295.18 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 80634768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).