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

C9H11BrN4O — CID 62129761

IUPAC2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2nc(C)c(Br)c2C)o1
InChIInChI=1S/C9H11BrN4O/c1-5-9(10)6(2)14(13-5)4-8-12-11-7(3)15-8/h4H2,1-3H3
InChIKeyQMPUPNXFZCYJOS-UHFFFAOYSA-N
MW271.12 g/mol
LogP2.00
Rot. Bonds2

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

2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 62129761) has the molecular formula C9H11BrN4O and a molecular weight of 271.12 g/mol. Its IUPAC name is 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID62129761
Molecular FormulaC9H11BrN4O
Molecular Weight271.12 g/mol
Exact Mass270.01
IUPAC Name2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2nc(C)c(Br)c2C)o1
InChIInChI=1S/C9H11BrN4O/c1-5-9(10)6(2)14(13-5)4-8-12-11-7(3)15-8/h4H2,1-3H3
InChIKeyQMPUPNXFZCYJOS-UHFFFAOYSA-N
XLogP2.00
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole (CID 62129761) is 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(Cn2nc(C)c(Br)c2C)o1.
What is the InChIKey of 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is QMPUPNXFZCYJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O/c1-5-9(10)6(2)14(13-5)4-8-12-11-7(3)15-8/h4H2,1-3H3.
What are the key properties of 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 271.12 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 62129761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).