bis([4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4-bromo-5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4,5-dichloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid

C66H54Br3Cl13F2N18O24P6 — CID 158862246

About bis([4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4-bromo-5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4,5-dichloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid

bis([4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4-bromo-5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4,5-dichloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid (PubChem CID 158862246) has the molecular formula C66H54Br3Cl13F2N18O24P6 and a molecular weight of 2407.70 g/mol. Its IUPAC name is bis([4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4-bromo-5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4,5-dichloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid.

Molecular Properties

• Compound Name: bis([4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4-bromo-5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4,5-dichloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid
• PubChem CID: 158862246
• Molecular Formula: C66H54Br3Cl13F2N18O24P6
• Molecular Weight: 2407.70 g/mol
• Exact Mass: 2397.55
• IUPAC Name: bis([4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4-bromo-5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4,5-dichloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid
• SMILES: Cc1ccc(NC(=O)c2nn(P(=O)(O)O)c(Cl)c2Br)c(Cl)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)c(Cl)c2Br)c(Cl)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)c(Cl)c2Br)c(F)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)c(Cl)c2Cl)c(Cl)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)c(Cl)c2Cl)c(Cl)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)c(Cl)c2Cl)c(F)c1
• InChI: InChI=1S/2C11H9BrCl2N3O4P.C11H9BrClFN3O4P.2C11H9Cl3N3O4P.C11H9Cl2FN3O4P/c2*1-5-2-3-7(6(13)4-5)15-11(18)9-8(12)10(14)17(16-9)22(19,20)21;1-5-2-3-7(6(14)4-5)15-11(18)9-8(12)10(13)17(16-9)22(19,20)21;2*1-5-2-3-7(6(12)4-5)15-11(18)9-8(13)10(14)17(16-9)22(19,20)21;1-5-2-3-7(6(14)4-5)15-11(18)9-8(12)10(13)17(16-9)22(19,20)21/h6*2-4H,1H3,(H,15,18)(H2,19,20,21)
• InChIKey: JAUIORYNMOMQPY-UHFFFAOYSA-N
• XLogP: 19.37
• TPSA: 626.70 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2407.70
LogP ≤ 5	19.37
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis([4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4-bromo-5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4,5-dichloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid?

The IUPAC name of bis([4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4-bromo-5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4,5-dichloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid (CID 158862246) is bis([4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4-bromo-5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4,5-dichloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid.

What is the SMILES notation for bis([4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4-bromo-5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4,5-dichloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid?

The canonical SMILES for bis([4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4-bromo-5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4,5-dichloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid is Cc1ccc(NC(=O)c2nn(P(=O)(O)O)c(Cl)c2Br)c(Cl)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)c(Cl)c2Br)c(Cl)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)c(Cl)c2Br)c(F)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)c(Cl)c2Cl)c(Cl)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)c(Cl)c2Cl)c(Cl)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)c(Cl)c2Cl)c(F)c1.

What is the InChIKey of bis([4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4-bromo-5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4,5-dichloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid?

The InChIKey is JAUIORYNMOMQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H9BrCl2N3O4P.C11H9BrClFN3O4P.2C11H9Cl3N3O4P.C11H9Cl2FN3O4P/c2*1-5-2-3-7(6(13)4-5)15-11(18)9-8(12)10(14)17(16-9)22(19,20)21;1-5-2-3-7(6(14)4-5)15-11(18)9-8(12)10(13)17(16-9)22(19,20)21;2*1-5-2-3-7(6(12)4-5)15-11(18)9-8(13)10(14)17(16-9)22(19,20)21;1-5-2-3-7(6(14)4-5)15-11(18)9-8(12)10(13)17(16-9)22(19,20)21/h6*2-4H,1H3,(H,15,18)(H2,19,20,21).

What are the key properties of bis([4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4-bromo-5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4,5-dichloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid?

bis([4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4-bromo-5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4,5-dichloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid has a molecular weight of 2407.70 g/mol, XLogP of 19.37, 18 rotatable bonds, 18 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis([4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4-bromo-5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4,5-dichloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid is sourced from PubChem (CID 158862246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).