chloroplatinum(1+);1-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-3,5-dimethylpyrazole

C15H13ClF2N4Pt — CID 58130276

About chloroplatinum(1+);1-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-3,5-dimethylpyrazole

chloroplatinum(1+);1-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-3,5-dimethylpyrazole (PubChem CID 58130276) has the molecular formula C15H13ClF2N4Pt and a molecular weight of 517.82 g/mol. Its IUPAC name is chloroplatinum(1+);1-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-3,5-dimethylpyrazole.

Molecular Properties

• Compound Name: chloroplatinum(1+);1-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-3,5-dimethylpyrazole
• PubChem CID: 58130276
• Molecular Formula: C15H13ClF2N4Pt
• Molecular Weight: 517.82 g/mol
• Exact Mass: 517.04
• IUPAC Name: chloroplatinum(1+);1-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-3,5-dimethylpyrazole
• SMILES: Cc1cc(C)n(-c2[c-]c(-c3nccn3C)c(F)cc2F)n1.Cl[Pt+]
• InChI: InChI=1S/C15H13F2N4.ClH.Pt/c1-9-6-10(2)21(19-9)14-7-11(12(16)8-13(14)17)15-18-4-5-20(15)3;;/h4-6,8H,1-3H3;1H;/q-1;;+2/p-1
• InChIKey: RFBSSEIGYMPTFR-UHFFFAOYSA-M
• XLogP: 3.66
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.82
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);1-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-3,5-dimethylpyrazole?

The IUPAC name of chloroplatinum(1+);1-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-3,5-dimethylpyrazole (CID 58130276) is chloroplatinum(1+);1-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-3,5-dimethylpyrazole.

What is the SMILES notation for chloroplatinum(1+);1-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-3,5-dimethylpyrazole?

The canonical SMILES for chloroplatinum(1+);1-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-3,5-dimethylpyrazole is Cc1cc(C)n(-c2[c-]c(-c3nccn3C)c(F)cc2F)n1.Cl[Pt+].

What is the InChIKey of chloroplatinum(1+);1-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-3,5-dimethylpyrazole?

The InChIKey is RFBSSEIGYMPTFR-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H13F2N4.ClH.Pt/c1-9-6-10(2)21(19-9)14-7-11(12(16)8-13(14)17)15-18-4-5-20(15)3;;/h4-6,8H,1-3H3;1H;/q-1;;+2/p-1.

What are the key properties of chloroplatinum(1+);1-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-3,5-dimethylpyrazole?

chloroplatinum(1+);1-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-3,5-dimethylpyrazole has a molecular weight of 517.82 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for chloroplatinum(1+);1-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-3,5-dimethylpyrazole is sourced from PubChem (CID 58130276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).