5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole

C11H15BrN4O — CID 55038851

IUPAC5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(Cn2nc(C)c(Br)c2C)n1
InChIInChI=1S/C11H15BrN4O/c1-4-5-9-13-10(17-15-9)6-16-8(3)11(12)7(2)14-16/h4-6H2,1-3H3
InChIKeyXXVCZPCTGQYYSM-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.65
Rot. Bonds4

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

5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 55038851) has the molecular formula C11H15BrN4O and a molecular weight of 299.17 g/mol. Its IUPAC name is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
PubChem CID55038851
Molecular FormulaC11H15BrN4O
Molecular Weight299.17 g/mol
Exact Mass298.04
IUPAC Name5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(Cn2nc(C)c(Br)c2C)n1
InChIInChI=1S/C11H15BrN4O/c1-4-5-9-13-10(17-15-9)6-16-8(3)11(12)7(2)14-16/h4-6H2,1-3H3
InChIKeyXXVCZPCTGQYYSM-UHFFFAOYSA-N
XLogP2.65
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole (CID 55038851) is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(Cn2nc(C)c(Br)c2C)n1.
What is the InChIKey of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is XXVCZPCTGQYYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O/c1-4-5-9-13-10(17-15-9)6-16-8(3)11(12)7(2)14-16/h4-6H2,1-3H3.
What are the key properties of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 299.17 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 55038851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).