5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole

C10H12BrN3O — CID 164718672

IUPAC5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole
SMILESCCc1cc(Cc2cn(C)nc2Br)on1
InChIInChI=1S/C10H12BrN3O/c1-3-8-5-9(15-13-8)4-7-6-14(2)12-10(7)11/h5-6H,3-4H2,1-2H3
InChIKeyDAFXPYAXPQKAFB-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.32
Rot. Bonds3

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

5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole (PubChem CID 164718672) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole
PubChem CID164718672
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole
SMILESCCc1cc(Cc2cn(C)nc2Br)on1
InChIInChI=1S/C10H12BrN3O/c1-3-8-5-9(15-13-8)4-7-6-14(2)12-10(7)11/h5-6H,3-4H2,1-2H3
InChIKeyDAFXPYAXPQKAFB-UHFFFAOYSA-N
XLogP2.32
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole?
The IUPAC name of 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole (CID 164718672) is 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole.
What is the SMILES notation for 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole?
The canonical SMILES for 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole is CCc1cc(Cc2cn(C)nc2Br)on1.
What is the InChIKey of 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole?
The InChIKey is DAFXPYAXPQKAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-3-8-5-9(15-13-8)4-7-6-14(2)12-10(7)11/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole?
5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole has a molecular weight of 270.13 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-ethyl-1,2-oxazole is sourced from PubChem (CID 164718672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).