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

C11H15BrN4O — CID 19552720

IUPAC2-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C(C)Cn2nc(C)c(Br)c2C)o1
InChIInChI=1S/C11H15BrN4O/c1-6(11-14-13-9(4)17-11)5-16-8(3)10(12)7(2)15-16/h6H,5H2,1-4H3
InChIKeyZYCSOJYRWAWDHY-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.76
Rot. Bonds3

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

2-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 19552720) has the molecular formula C11H15BrN4O and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID19552720
Molecular FormulaC11H15BrN4O
Molecular Weight299.17 g/mol
Exact Mass298.04
IUPAC Name2-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C(C)Cn2nc(C)c(Br)c2C)o1
InChIInChI=1S/C11H15BrN4O/c1-6(11-14-13-9(4)17-11)5-16-8(3)10(12)7(2)15-16/h6H,5H2,1-4H3
InChIKeyZYCSOJYRWAWDHY-UHFFFAOYSA-N
XLogP2.76
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,3,4-oxadiazole (CID 19552720) is 2-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(C(C)Cn2nc(C)c(Br)c2C)o1.
What is the InChIKey of 2-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is ZYCSOJYRWAWDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O/c1-6(11-14-13-9(4)17-11)5-16-8(3)10(12)7(2)15-16/h6H,5H2,1-4H3.
What are the key properties of 2-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,3,4-oxadiazole?
2-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 299.17 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 19552720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).