5-bromo-2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine

C13H16BrN3 — CID 104809178

IUPAC5-bromo-2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine
SMILESCCc1c(C)nn(Cc2ccc(Br)cn2)c1C
InChIInChI=1S/C13H16BrN3/c1-4-13-9(2)16-17(10(13)3)8-12-6-5-11(14)7-15-12/h5-7H,4,8H2,1-3H3
InChIKeyFCPAZOABIYTVJB-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.27
Rot. Bonds3

About 5-bromo-2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine

5-bromo-2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine (PubChem CID 104809178) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 5-bromo-2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine
PubChem CID104809178
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name5-bromo-2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine
SMILESCCc1c(C)nn(Cc2ccc(Br)cn2)c1C
InChIInChI=1S/C13H16BrN3/c1-4-13-9(2)16-17(10(13)3)8-12-6-5-11(14)7-15-12/h5-7H,4,8H2,1-3H3
InChIKeyFCPAZOABIYTVJB-UHFFFAOYSA-N
XLogP3.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(5-bromo-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]butan-2-amine
CID 104811061
N-[2-[1-[(5-bromo-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 104811615
[2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine
CID 61238142
5-bromo-2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridine
CID 104809313
N-[[6-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106907426
4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine
CID 61238153
[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 55072800
2-chloro-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 62470807
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105180924
5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 104809156
[1-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647471
N-[[3-bromo-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]ethanamine
CID 102772164

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The IUPAC name of 5-bromo-2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine (CID 104809178) is 5-bromo-2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 5-bromo-2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine is CCc1c(C)nn(Cc2ccc(Br)cn2)c1C.
What is the InChIKey of 5-bromo-2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The InChIKey is FCPAZOABIYTVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-4-13-9(2)16-17(10(13)3)8-12-6-5-11(14)7-15-12/h5-7H,4,8H2,1-3H3.
What are the key properties of 5-bromo-2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine?
5-bromo-2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine has a molecular weight of 294.20 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 104809178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).