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

C12H15BrN4 — CID 83127098

IUPAC1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanamine
SMILESCc1nn(-c2ccc(C(C)N)nc2)c(C)c1Br
InChIInChI=1S/C12H15BrN4/c1-7(14)11-5-4-10(6-15-11)17-9(3)12(13)8(2)16-17/h4-7H,14H2,1-3H3
InChIKeyVUFJHQOKIGQGPV-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.67
Rot. Bonds2

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

1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanamine (PubChem CID 83127098) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanamine
PubChem CID83127098
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanamine
SMILESCc1nn(-c2ccc(C(C)N)nc2)c(C)c1Br
InChIInChI=1S/C12H15BrN4/c1-7(14)11-5-4-10(6-15-11)17-9(3)12(13)8(2)16-17/h4-7H,14H2,1-3H3
InChIKeyVUFJHQOKIGQGPV-UHFFFAOYSA-N
XLogP2.67
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanamine?
The IUPAC name of 1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanamine (CID 83127098) is 1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanamine is Cc1nn(-c2ccc(C(C)N)nc2)c(C)c1Br.
What is the InChIKey of 1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanamine?
The InChIKey is VUFJHQOKIGQGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-7(14)11-5-4-10(6-15-11)17-9(3)12(13)8(2)16-17/h4-7H,14H2,1-3H3.
What are the key properties of 1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanamine?
1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanamine has a molecular weight of 295.18 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83127098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).