ethyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate

C82H60Br2Cl6N16O12 — CID 158542839

About ethyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate

ethyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate (PubChem CID 158542839) has the molecular formula C82H60Br2Cl6N16O12 and a molecular weight of 1834.01 g/mol. Its IUPAC name is ethyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate
• PubChem CID: 158542839
• Molecular Formula: C82H60Br2Cl6N16O12
• Molecular Weight: 1834.01 g/mol
• Exact Mass: 1828.11
• IUPAC Name: ethyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate
• SMILES: CCOC(=O)c1nn(-c2ccccc2Cl)c(-c2nc(-c3cccc(C)c3)no2)c1Br.CCOC(=O)c1nn(-c2ccccc2Cl)c(-c2nc(-c3cccc(C)c3)no2)c1Cl.COC(=O)c1nn(-c2ccccc2Cl)c(-c2nc(-c3cccc(C)c3)no2)c1Br.COC(=O)c1nn(-c2ccccc2Cl)c(-c2nc(-c3cccc(C)c3)no2)c1Cl
• InChI: InChI=1S/C21H16BrClN4O3.C21H16Cl2N4O3.C20H14BrClN4O3.C20H14Cl2N4O3/c1-3-29-21(28)17-16(22)18(27(25-17)15-10-5-4-9-14(15)23)20-24-19(26-30-20)13-8-6-7-12(2)11-13;1-3-29-21(28)17-16(23)18(27(25-17)15-10-5-4-9-14(15)22)20-24-19(26-30-20)13-8-6-7-12(2)11-13;1-11-6-5-7-12(10-11)18-23-19(29-25-18)17-15(21)16(20(27)28-2)24-26(17)14-9-4-3-8-13(14)22;1-11-6-5-7-12(10-11)18-23-19(29-25-18)17-15(22)16(20(27)28-2)24-26(17)14-9-4-3-8-13(14)21/h2*4-11H,3H2,1-2H3;2*3-10H,1-2H3
• InChIKey: HOSVJWLXUIJEAK-UHFFFAOYSA-N
• XLogP: 20.96
• TPSA: 332.16 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1834.01
LogP ≤ 5	20.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate?

The IUPAC name of ethyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate (CID 158542839) is ethyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate.

What is the SMILES notation for ethyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate?

The canonical SMILES for ethyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate is CCOC(=O)c1nn(-c2ccccc2Cl)c(-c2nc(-c3cccc(C)c3)no2)c1Br.CCOC(=O)c1nn(-c2ccccc2Cl)c(-c2nc(-c3cccc(C)c3)no2)c1Cl.COC(=O)c1nn(-c2ccccc2Cl)c(-c2nc(-c3cccc(C)c3)no2)c1Br.COC(=O)c1nn(-c2ccccc2Cl)c(-c2nc(-c3cccc(C)c3)no2)c1Cl.

What is the InChIKey of ethyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate?

The InChIKey is HOSVJWLXUIJEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrClN4O3.C21H16Cl2N4O3.C20H14BrClN4O3.C20H14Cl2N4O3/c1-3-29-21(28)17-16(22)18(27(25-17)15-10-5-4-9-14(15)23)20-24-19(26-30-20)13-8-6-7-12(2)11-13;1-3-29-21(28)17-16(23)18(27(25-17)15-10-5-4-9-14(15)22)20-24-19(26-30-20)13-8-6-7-12(2)11-13;1-11-6-5-7-12(10-11)18-23-19(29-25-18)17-15(21)16(20(27)28-2)24-26(17)14-9-4-3-8-13(14)22;1-11-6-5-7-12(10-11)18-23-19(29-25-18)17-15(22)16(20(27)28-2)24-26(17)14-9-4-3-8-13(14)21/h2*4-11H,3H2,1-2H3;2*3-10H,1-2H3.

What are the key properties of ethyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate?

ethyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate has a molecular weight of 1834.01 g/mol, XLogP of 20.96, 18 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate is sourced from PubChem (CID 158542839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).