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

C66H57Cl8F7N18O24P6 — CID 157345195

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

bis([5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]-4-fluoropyrazol-1-yl]phosphonic acid);[5-chloro-4-fluoro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;[5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([3-[(2-chloro-4-methylphenyl)carbamoyl]-5-fluoropyrazol-1-yl]phosphonic acid) (PubChem CID 157345195) has the molecular formula C66H57Cl8F7N18O24P6 and a molecular weight of 2088.74 g/mol. Its IUPAC name is bis([5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]-4-fluoropyrazol-1-yl]phosphonic acid);[5-chloro-4-fluoro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;[5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([3-[(2-chloro-4-methylphenyl)carbamoyl]-5-fluoropyrazol-1-yl]phosphonic acid).

Molecular Properties

• Compound Name: bis([5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]-4-fluoropyrazol-1-yl]phosphonic acid);[5-chloro-4-fluoro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;[5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([3-[(2-chloro-4-methylphenyl)carbamoyl]-5-fluoropyrazol-1-yl]phosphonic acid)
• PubChem CID: 157345195
• Molecular Formula: C66H57Cl8F7N18O24P6
• Molecular Weight: 2088.74 g/mol
• Exact Mass: 2083.96
• IUPAC Name: bis([5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]-4-fluoropyrazol-1-yl]phosphonic acid);[5-chloro-4-fluoro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;[5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([3-[(2-chloro-4-methylphenyl)carbamoyl]-5-fluoropyrazol-1-yl]phosphonic acid)
• SMILES: Cc1ccc(NC(=O)c2cc(Cl)n(P(=O)(O)O)n2)c(F)c1.Cc1ccc(NC(=O)c2cc(F)n(P(=O)(O)O)n2)c(Cl)c1.Cc1ccc(NC(=O)c2cc(F)n(P(=O)(O)O)n2)c(Cl)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)c(Cl)c2F)c(Cl)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)c(Cl)c2F)c(Cl)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)c(Cl)c2F)c(F)c1
• InChI: InChI=1S/2C11H9Cl2FN3O4P.C11H9ClF2N3O4P.3C11H10ClFN3O4P/c2*1-5-2-3-7(6(12)4-5)15-11(18)9-8(14)10(13)17(16-9)22(19,20)21;1-5-2-3-7(6(13)4-5)15-11(18)9-8(14)10(12)17(16-9)22(19,20)21;1-6-2-3-8(7(13)4-6)14-11(17)9-5-10(12)16(15-9)21(18,19)20;2*1-6-2-3-8(7(12)4-6)14-11(17)9-5-10(13)16(15-9)21(18,19)20/h3*2-4H,1H3,(H,15,18)(H2,19,20,21);3*2-5H,1H3,(H,14,17)(H2,18,19,20)
• InChIKey: BGWLHPXYZTVIPB-UHFFFAOYSA-N
• XLogP: 14.51
• TPSA: 626.70 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2088.74
LogP ≤ 5	14.51
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([5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]-4-fluoropyrazol-1-yl]phosphonic acid);[5-chloro-4-fluoro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;[5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([3-[(2-chloro-4-methylphenyl)carbamoyl]-5-fluoropyrazol-1-yl]phosphonic acid)?

The IUPAC name of bis([5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]-4-fluoropyrazol-1-yl]phosphonic acid);[5-chloro-4-fluoro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;[5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([3-[(2-chloro-4-methylphenyl)carbamoyl]-5-fluoropyrazol-1-yl]phosphonic acid) (CID 157345195) is bis([5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]-4-fluoropyrazol-1-yl]phosphonic acid);[5-chloro-4-fluoro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;[5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([3-[(2-chloro-4-methylphenyl)carbamoyl]-5-fluoropyrazol-1-yl]phosphonic acid).

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

The canonical SMILES for bis([5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]-4-fluoropyrazol-1-yl]phosphonic acid);[5-chloro-4-fluoro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;[5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([3-[(2-chloro-4-methylphenyl)carbamoyl]-5-fluoropyrazol-1-yl]phosphonic acid) is Cc1ccc(NC(=O)c2cc(Cl)n(P(=O)(O)O)n2)c(F)c1.Cc1ccc(NC(=O)c2cc(F)n(P(=O)(O)O)n2)c(Cl)c1.Cc1ccc(NC(=O)c2cc(F)n(P(=O)(O)O)n2)c(Cl)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)c(Cl)c2F)c(Cl)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)c(Cl)c2F)c(Cl)c1.Cc1ccc(NC(=O)c2nn(P(=O)(O)O)c(Cl)c2F)c(F)c1.

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

The InChIKey is BGWLHPXYZTVIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H9Cl2FN3O4P.C11H9ClF2N3O4P.3C11H10ClFN3O4P/c2*1-5-2-3-7(6(12)4-5)15-11(18)9-8(14)10(13)17(16-9)22(19,20)21;1-5-2-3-7(6(13)4-5)15-11(18)9-8(14)10(12)17(16-9)22(19,20)21;1-6-2-3-8(7(13)4-6)14-11(17)9-5-10(12)16(15-9)21(18,19)20;2*1-6-2-3-8(7(12)4-6)14-11(17)9-5-10(13)16(15-9)21(18,19)20/h3*2-4H,1H3,(H,15,18)(H2,19,20,21);3*2-5H,1H3,(H,14,17)(H2,18,19,20).

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

bis([5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]-4-fluoropyrazol-1-yl]phosphonic acid);[5-chloro-4-fluoro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;[5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([3-[(2-chloro-4-methylphenyl)carbamoyl]-5-fluoropyrazol-1-yl]phosphonic acid) has a molecular weight of 2088.74 g/mol, XLogP of 14.51, 18 rotatable bonds, 18 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis([5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]-4-fluoropyrazol-1-yl]phosphonic acid);[5-chloro-4-fluoro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;[5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([3-[(2-chloro-4-methylphenyl)carbamoyl]-5-fluoropyrazol-1-yl]phosphonic acid) is sourced from PubChem (CID 157345195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).