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

C117H78Br4Cl8N24O16S2 — CID 158878768

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

4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;ethyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate (PubChem CID 158878768) has the molecular formula C117H78Br4Cl8N24O16S2 and a molecular weight of 2743.44 g/mol. Its IUPAC name is 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;ethyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate.

Molecular Properties

• Compound Name: 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;ethyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate
• PubChem CID: 158878768
• Molecular Formula: C117H78Br4Cl8N24O16S2
• Molecular Weight: 2743.44 g/mol
• Exact Mass: 2733.97
• IUPAC Name: 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;ethyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate
• SMILES: CCOC(=O)c1nn(-c2ccccc2Cl)c(-c2noc(-c3cccc(C)c3)n2)c1Br.COC(=O)c1nn(-c2ccccc2Cl)c(-c2noc(-c3cccc(C)c3)n2)c1Br.Cc1cccc(-c2nc(-c3c(Br)c(C(=O)O)nn3-c3ccccc3Cl)no2)c1.Cc1cccc(-c2nc(-c3c(Br)c(C(=O)O)nn3-c3ccccc3Cl)ns2)c1.Cc1cccc(-c2nc(-c3c(Cl)c(C(=O)O)nn3-c3ccccc3Cl)no2)c1.Cc1cccc(-c2nc(-c3c(Cl)c(C(=O)O)nn3-c3ccccc3Cl)ns2)c1
• InChI: InChI=1S/C21H16BrClN4O3.C20H14BrClN4O3.C19H12BrClN4O3.C19H12BrClN4O2S.C19H12Cl2N4O3.C19H12Cl2N4O2S/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;1-11-6-5-7-12(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*1-10-5-4-6-11(9-10)18-22-17(24-28-18)16-14(20)15(19(26)27)23-25(16)13-8-3-2-7-12(13)21;2*1-10-5-4-6-11(9-10)18-22-17(24-28-18)16-14(21)15(19(26)27)23-25(16)13-8-3-2-7-12(13)20/h4-11H,3H2,1-2H3;3-10H,1-2H3;4*2-9H,1H3,(H,26,27)
• InChIKey: JCTSNQWIGLLDJV-UHFFFAOYSA-N
• XLogP: 31.36
• TPSA: 515.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 38
• Rotatable Bonds: 25
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2743.44
LogP ≤ 5	31.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

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

The IUPAC name of 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;ethyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate (CID 158878768) is 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;ethyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate.

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

The canonical SMILES for 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;ethyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate is CCOC(=O)c1nn(-c2ccccc2Cl)c(-c2noc(-c3cccc(C)c3)n2)c1Br.COC(=O)c1nn(-c2ccccc2Cl)c(-c2noc(-c3cccc(C)c3)n2)c1Br.Cc1cccc(-c2nc(-c3c(Br)c(C(=O)O)nn3-c3ccccc3Cl)no2)c1.Cc1cccc(-c2nc(-c3c(Br)c(C(=O)O)nn3-c3ccccc3Cl)ns2)c1.Cc1cccc(-c2nc(-c3c(Cl)c(C(=O)O)nn3-c3ccccc3Cl)no2)c1.Cc1cccc(-c2nc(-c3c(Cl)c(C(=O)O)nn3-c3ccccc3Cl)ns2)c1.

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

The InChIKey is JCTSNQWIGLLDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrClN4O3.C20H14BrClN4O3.C19H12BrClN4O3.C19H12BrClN4O2S.C19H12Cl2N4O3.C19H12Cl2N4O2S/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;1-11-6-5-7-12(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*1-10-5-4-6-11(9-10)18-22-17(24-28-18)16-14(20)15(19(26)27)23-25(16)13-8-3-2-7-12(13)21;2*1-10-5-4-6-11(9-10)18-22-17(24-28-18)16-14(21)15(19(26)27)23-25(16)13-8-3-2-7-12(13)20/h4-11H,3H2,1-2H3;3-10H,1-2H3;4*2-9H,1H3,(H,26,27).

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

4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;ethyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate has a molecular weight of 2743.44 g/mol, XLogP of 31.36, 25 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;ethyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate is sourced from PubChem (CID 158878768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).