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

C15H13BrCl2N4O — CID 19326587

IUPAC5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
SMILESCc1nn(CCc2nc(-c3ccc(Cl)cc3Cl)no2)c(C)c1Br
InChIInChI=1S/C15H13BrCl2N4O/c1-8-14(16)9(2)22(20-8)6-5-13-19-15(21-23-13)11-4-3-10(17)7-12(11)18/h3-4,7H,5-6H2,1-2H3
InChIKeyODBKWVWFRIPKBL-UHFFFAOYSA-N
MW416.11 g/mol
LogP4.86
Rot. Bonds4

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

5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole (PubChem CID 19326587) has the molecular formula C15H13BrCl2N4O and a molecular weight of 416.11 g/mol. Its IUPAC name is 5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
PubChem CID19326587
Molecular FormulaC15H13BrCl2N4O
Molecular Weight416.11 g/mol
Exact Mass413.96
IUPAC Name5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
SMILESCc1nn(CCc2nc(-c3ccc(Cl)cc3Cl)no2)c(C)c1Br
InChIInChI=1S/C15H13BrCl2N4O/c1-8-14(16)9(2)22(20-8)6-5-13-19-15(21-23-13)11-4-3-10(17)7-12(11)18/h3-4,7H,5-6H2,1-2H3
InChIKeyODBKWVWFRIPKBL-UHFFFAOYSA-N
XLogP4.86
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.11
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326638
5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 19332620
[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008067
3-(2,4-dichlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 19326469
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 19330175
5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 19324521
3-(2,4-dichlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 19326529
2-[5-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentyl]isoindole-1,3-dione
CID 19326552
5-[(4-chloropyrazol-1-yl)methyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19330336
5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326681
5-(4-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326479
5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326705

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole (CID 19326587) is 5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole is Cc1nn(CCc2nc(-c3ccc(Cl)cc3Cl)no2)c(C)c1Br.
What is the InChIKey of 5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The InChIKey is ODBKWVWFRIPKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N4O/c1-8-14(16)9(2)22(20-8)6-5-13-19-15(21-23-13)11-4-3-10(17)7-12(11)18/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole has a molecular weight of 416.11 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 19326587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).