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

C102H74Br2Cl8N20O11S4 — CID 158032587

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

ethyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate (PubChem CID 158032587) has the molecular formula C102H74Br2Cl8N20O11S4 and a molecular weight of 2327.54 g/mol. Its IUPAC name is ethyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate
• PubChem CID: 158032587
• Molecular Formula: C102H74Br2Cl8N20O11S4
• Molecular Weight: 2327.54 g/mol
• Exact Mass: 2320.06
• IUPAC Name: ethyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate
• SMILES: CCOC(=O)c1nn(-c2ccccc2Cl)c(-c2nsc(-c3cccc(C)c3)n2)c1Br.CCOC(=O)c1nn(-c2ccccc2Cl)c(-c2nsc(-c3cccc(C)c3)n2)c1Cl.COC(=O)c1nn(-c2ccccc2Cl)c(-c2noc(-c3cccc(C)c3)n2)c1Cl.COC(=O)c1nn(-c2ccccc2Cl)c(-c2nsc(-c3cccc(C)c3)n2)c1Br.COC(=O)c1nn(-c2ccccc2Cl)c(-c2nsc(-c3cccc(C)c3)n2)c1Cl
• InChI: InChI=1S/C21H16BrClN4O2S.C21H16Cl2N4O2S.C20H14BrClN4O2S.C20H14Cl2N4O3.C20H14Cl2N4O2S/c1-3-29-21(28)17-16(22)18(27(25-17)15-10-5-4-9-14(15)23)19-24-20(30-26-19)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)19-24-20(30-26-19)13-8-6-7-12(2)11-13;1-11-6-5-7-12(10-11)19-23-18(25-29-19)17-15(21)16(20(27)28-2)24-26(17)14-9-4-3-8-13(14)22;2*1-11-6-5-7-12(10-11)19-23-18(25-29-19)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;3*3-10H,1-2H3
• InChIKey: FHIYHAVTIFQSBU-UHFFFAOYSA-N
• XLogP: 27.83
• TPSA: 362.64 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2327.54
LogP ≤ 5	27.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

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

The IUPAC name of ethyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate (CID 158032587) is ethyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate.

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

The canonical SMILES for ethyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate is CCOC(=O)c1nn(-c2ccccc2Cl)c(-c2nsc(-c3cccc(C)c3)n2)c1Br.CCOC(=O)c1nn(-c2ccccc2Cl)c(-c2nsc(-c3cccc(C)c3)n2)c1Cl.COC(=O)c1nn(-c2ccccc2Cl)c(-c2noc(-c3cccc(C)c3)n2)c1Cl.COC(=O)c1nn(-c2ccccc2Cl)c(-c2nsc(-c3cccc(C)c3)n2)c1Br.COC(=O)c1nn(-c2ccccc2Cl)c(-c2nsc(-c3cccc(C)c3)n2)c1Cl.

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

The InChIKey is FHIYHAVTIFQSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrClN4O2S.C21H16Cl2N4O2S.C20H14BrClN4O2S.C20H14Cl2N4O3.C20H14Cl2N4O2S/c1-3-29-21(28)17-16(22)18(27(25-17)15-10-5-4-9-14(15)23)19-24-20(30-26-19)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)19-24-20(30-26-19)13-8-6-7-12(2)11-13;1-11-6-5-7-12(10-11)19-23-18(25-29-19)17-15(21)16(20(27)28-2)24-26(17)14-9-4-3-8-13(14)22;2*1-11-6-5-7-12(10-11)19-23-18(25-29-19)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;3*3-10H,1-2H3.

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

ethyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate has a molecular weight of 2327.54 g/mol, XLogP of 27.83, 22 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate is sourced from PubChem (CID 158032587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).