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

C8H9BrN4O — CID 19542320

IUPAC2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2nn(C)c(C)c2Br)o1
InChIInChI=1S/C8H9BrN4O/c1-4-6(9)7(12-13(4)3)8-11-10-5(2)14-8/h1-3H3
InChIKeyQQKKYBIQPXABRT-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.85
Rot. Bonds1

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

2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole (PubChem CID 19542320) has the molecular formula C8H9BrN4O and a molecular weight of 257.09 g/mol. Its IUPAC name is 2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole
PubChem CID19542320
Molecular FormulaC8H9BrN4O
Molecular Weight257.09 g/mol
Exact Mass256.00
IUPAC Name2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2nn(C)c(C)c2Br)o1
InChIInChI=1S/C8H9BrN4O/c1-4-6(9)7(12-13(4)3)8-11-10-5(2)14-8/h1-3H3
InChIKeyQQKKYBIQPXABRT-UHFFFAOYSA-N
XLogP1.85
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole (CID 19542320) is 2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2nn(C)c(C)c2Br)o1.
What is the InChIKey of 2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is QQKKYBIQPXABRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4O/c1-4-6(9)7(12-13(4)3)8-11-10-5(2)14-8/h1-3H3.
What are the key properties of 2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole?
2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 257.09 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 19542320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).