2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-ethylimidazo[1,2-a]pyrazine

C13H14BrN5 — CID 170973288

IUPAC2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-ethylimidazo[1,2-a]pyrazine
SMILESCCc1cn2cc(Cc3cn(C)nc3Br)nc2cn1
InChIInChI=1S/C13H14BrN5/c1-3-10-7-19-8-11(16-12(19)5-15-10)4-9-6-18(2)17-13(9)14/h5-8H,3-4H2,1-2H3
InChIKeyIPYUIHLNFVPFAX-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.38
Rot. Bonds3

About 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-ethylimidazo[1,2-a]pyrazine

2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-ethylimidazo[1,2-a]pyrazine (PubChem CID 170973288) has the molecular formula C13H14BrN5 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-ethylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-ethylimidazo[1,2-a]pyrazine
PubChem CID170973288
Molecular FormulaC13H14BrN5
Molecular Weight320.19 g/mol
Exact Mass319.04
IUPAC Name2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-ethylimidazo[1,2-a]pyrazine
SMILESCCc1cn2cc(Cc3cn(C)nc3Br)nc2cn1
InChIInChI=1S/C13H14BrN5/c1-3-10-7-19-8-11(16-12(19)5-15-10)4-9-6-18(2)17-13(9)14/h5-8H,3-4H2,1-2H3
InChIKeyIPYUIHLNFVPFAX-UHFFFAOYSA-N
XLogP2.38
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-ethylimidazo[1,2-a]pyrazine?
The IUPAC name of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-ethylimidazo[1,2-a]pyrazine (CID 170973288) is 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-ethylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-ethylimidazo[1,2-a]pyrazine?
The canonical SMILES for 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-ethylimidazo[1,2-a]pyrazine is CCc1cn2cc(Cc3cn(C)nc3Br)nc2cn1.
What is the InChIKey of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-ethylimidazo[1,2-a]pyrazine?
The InChIKey is IPYUIHLNFVPFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5/c1-3-10-7-19-8-11(16-12(19)5-15-10)4-9-6-18(2)17-13(9)14/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-ethylimidazo[1,2-a]pyrazine?
2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-ethylimidazo[1,2-a]pyrazine has a molecular weight of 320.19 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-ethylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 170973288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).