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

C10H13BrN4O — CID 62129595

IUPAC2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(Cn2nc(C)c(Br)c2C)o1
InChIInChI=1S/C10H13BrN4O/c1-4-8-12-13-9(16-8)5-15-7(3)10(11)6(2)14-15/h4-5H2,1-3H3
InChIKeyWUKPHQGDHGAYLF-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.26
Rot. Bonds3

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

2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 62129595) has the molecular formula C10H13BrN4O and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID62129595
Molecular FormulaC10H13BrN4O
Molecular Weight285.14 g/mol
Exact Mass284.03
IUPAC Name2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(Cn2nc(C)c(Br)c2C)o1
InChIInChI=1S/C10H13BrN4O/c1-4-8-12-13-9(16-8)5-15-7(3)10(11)6(2)14-15/h4-5H2,1-3H3
InChIKeyWUKPHQGDHGAYLF-UHFFFAOYSA-N
XLogP2.26
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Bromo-3,5-dimethyl-pyrazol-1-yl)-1-(3,5-dimethyl-pyrazol-1-yl)-ethanone
CID 6499850
1-[[5-[(4-Bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one
CID 2820727
4-bromo-1-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3,5-dimethyl-1H-pyrazole
CID 15943588
2-[[4-Bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 19552388
2-[2-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 19552536
2-[1-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 19552649
Methyl 2-[5-[1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazol-2-yl]acetate
CID 19552652
2-[1-[4-Bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 19554619
Methyl 2-[5-[1-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]ethyl]-1,3,4-oxadiazol-2-yl]acetate
CID 19554621
2-(4-Bromo-3,5-dimethylpyrazol-1-yl)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanone
CID 18524808
2-[(4-Bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-tert-butyl-1,3,4-oxadiazole
CID 71864005
2-[(4-Bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-(chloromethyl)-1,3,4-oxadiazole
CID 153316746

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole (CID 62129595) is 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(Cn2nc(C)c(Br)c2C)o1.
What is the InChIKey of 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is WUKPHQGDHGAYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O/c1-4-8-12-13-9(16-8)5-15-7(3)10(11)6(2)14-15/h4-5H2,1-3H3.
What are the key properties of 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole?
2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 285.14 g/mol, XLogP of 2.26, 3 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-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 62129595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).