4-(4-bromophenyl)-2-[(3R)-5-(4-bromophenyl)-3-[3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-1,3-thiazole

C37H28Br2N8S — CID 139051983

About 4-(4-bromophenyl)-2-[(3R)-5-(4-bromophenyl)-3-[3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-1,3-thiazole

4-(4-bromophenyl)-2-[(3R)-5-(4-bromophenyl)-3-[3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-1,3-thiazole (PubChem CID 139051983) has the molecular formula C37H28Br2N8S and a molecular weight of 776.56 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-[(3R)-5-(4-bromophenyl)-3-[3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 4-(4-bromophenyl)-2-[(3R)-5-(4-bromophenyl)-3-[3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-1,3-thiazole
• PubChem CID: 139051983
• Molecular Formula: C37H28Br2N8S
• Molecular Weight: 776.56 g/mol
• Exact Mass: 774.05
• IUPAC Name: 4-(4-bromophenyl)-2-[(3R)-5-(4-bromophenyl)-3-[3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-1,3-thiazole
• SMILES: Cc1ccc(-n2nnc(-c3nn(-c4ccccc4)cc3[C@H]3CC(c4ccc(Br)cc4)=NN3c3nc(-c4ccc(Br)cc4)cs3)c2C)cc1
• InChI: InChI=1S/C37H28Br2N8S/c1-23-8-18-30(19-9-23)46-24(2)35(41-44-46)36-31(21-45(43-36)29-6-4-3-5-7-29)34-20-32(25-10-14-27(38)15-11-25)42-47(34)37-40-33(22-48-37)26-12-16-28(39)17-13-26/h3-19,21-22,34H,20H2,1-2H3/t34-/m1/s1
• InChIKey: IPVHDYQNMBUFLT-UUWRZZSWSA-N
• XLogP: 9.74
• TPSA: 77.02 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.56
LogP ≤ 5	9.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-[(3R)-5-(4-bromophenyl)-3-[3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-1,3-thiazole?

The IUPAC name of 4-(4-bromophenyl)-2-[(3R)-5-(4-bromophenyl)-3-[3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-1,3-thiazole (CID 139051983) is 4-(4-bromophenyl)-2-[(3R)-5-(4-bromophenyl)-3-[3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-1,3-thiazole.

What is the SMILES notation for 4-(4-bromophenyl)-2-[(3R)-5-(4-bromophenyl)-3-[3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-1,3-thiazole?

The canonical SMILES for 4-(4-bromophenyl)-2-[(3R)-5-(4-bromophenyl)-3-[3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-1,3-thiazole is Cc1ccc(-n2nnc(-c3nn(-c4ccccc4)cc3[C@H]3CC(c4ccc(Br)cc4)=NN3c3nc(-c4ccc(Br)cc4)cs3)c2C)cc1.

What is the InChIKey of 4-(4-bromophenyl)-2-[(3R)-5-(4-bromophenyl)-3-[3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-1,3-thiazole?

The InChIKey is IPVHDYQNMBUFLT-UUWRZZSWSA-N. The full InChI is InChI=1S/C37H28Br2N8S/c1-23-8-18-30(19-9-23)46-24(2)35(41-44-46)36-31(21-45(43-36)29-6-4-3-5-7-29)34-20-32(25-10-14-27(38)15-11-25)42-47(34)37-40-33(22-48-37)26-12-16-28(39)17-13-26/h3-19,21-22,34H,20H2,1-2H3/t34-/m1/s1.

What are the key properties of 4-(4-bromophenyl)-2-[(3R)-5-(4-bromophenyl)-3-[3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-1,3-thiazole?

4-(4-bromophenyl)-2-[(3R)-5-(4-bromophenyl)-3-[3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-1,3-thiazole has a molecular weight of 776.56 g/mol, XLogP of 9.74, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-bromophenyl)-2-[(3R)-5-(4-bromophenyl)-3-[3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 139051983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).