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

C11H9BrN4OS — CID 19582981

IUPAC2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1c(Br)c(-c2nnc(-c3cccs3)o2)nn1C
InChIInChI=1S/C11H9BrN4OS/c1-6-8(12)9(15-16(6)2)11-14-13-10(17-11)7-4-3-5-18-7/h3-5H,1-2H3
InChIKeyQEYBUSPVCHAYPL-UHFFFAOYSA-N
MW325.19 g/mol
LogP3.27
Rot. Bonds2

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

2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 19582981) has the molecular formula C11H9BrN4OS and a molecular weight of 325.19 g/mol. Its IUPAC name is 2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID19582981
Molecular FormulaC11H9BrN4OS
Molecular Weight325.19 g/mol
Exact Mass323.97
IUPAC Name2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1c(Br)c(-c2nnc(-c3cccs3)o2)nn1C
InChIInChI=1S/C11H9BrN4OS/c1-6-8(12)9(15-16(6)2)11-14-13-10(17-11)7-4-3-5-18-7/h3-5H,1-2H3
InChIKeyQEYBUSPVCHAYPL-UHFFFAOYSA-N
XLogP3.27
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole
CID 19542320
ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole
CID 143800921
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
CID 16767328
5-thiophen-2-yl-1,3,4-oxadiazol-2-olate
CID 51401385
3-bromo-1-methyl-5-thiophen-2-yl-1,2,4-triazole
CID 135039838
2-(1-methylindol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 857000
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 8690020
1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine
CID 4737047
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
CID 86790689
2-[[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 19552841
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole (CID 19582981) is 2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole is Cc1c(Br)c(-c2nnc(-c3cccs3)o2)nn1C.
What is the InChIKey of 2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is QEYBUSPVCHAYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4OS/c1-6-8(12)9(15-16(6)2)11-14-13-10(17-11)7-4-3-5-18-7/h3-5H,1-2H3.
What are the key properties of 2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole?
2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 325.19 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 19582981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).