2-[5-methyl-3-[(1-methyl-2-phenyl-2H-imidazol-1-ium-4-yl)oxy]pyrazol-1-yl]pyridine;platinum

C19H17N5OPt — CID 59661087

IUPAC2-[5-methyl-3-[(1-methyl-2-phenyl-2H-imidazol-1-ium-4-yl)oxy]pyrazol-1-yl]pyridine;platinum
SMILESCc1cc(OC2=NC(c3[c-]cccc3)[N+](C)=C2)nn1-c1ccccn1.[Pt]
InChIInChI=1S/C19H17N5O.Pt/c1-14-12-17(22-24(14)16-10-6-7-11-20-16)25-18-13-23(2)19(21-18)15-8-4-3-5-9-15;/h3-8,10-13,19H,1-2H3;
InChIKeyAASWKFDUPSXZDR-UHFFFAOYSA-N
MW526.46 g/mol
LogP2.58
Rot. Bonds3

About 2-[5-methyl-3-[(1-methyl-2-phenyl-2H-imidazol-1-ium-4-yl)oxy]pyrazol-1-yl]pyridine;platinum

2-[5-methyl-3-[(1-methyl-2-phenyl-2H-imidazol-1-ium-4-yl)oxy]pyrazol-1-yl]pyridine;platinum (PubChem CID 59661087) has the molecular formula C19H17N5OPt and a molecular weight of 526.46 g/mol. Its IUPAC name is 2-[5-methyl-3-[(1-methyl-2-phenyl-2H-imidazol-1-ium-4-yl)oxy]pyrazol-1-yl]pyridine;platinum.

Molecular Properties

Compound Name2-[5-methyl-3-[(1-methyl-2-phenyl-2H-imidazol-1-ium-4-yl)oxy]pyrazol-1-yl]pyridine;platinum
PubChem CID59661087
Molecular FormulaC19H17N5OPt
Molecular Weight526.46 g/mol
Exact Mass526.11
IUPAC Name2-[5-methyl-3-[(1-methyl-2-phenyl-2H-imidazol-1-ium-4-yl)oxy]pyrazol-1-yl]pyridine;platinum
SMILESCc1cc(OC2=NC(c3[c-]cccc3)[N+](C)=C2)nn1-c1ccccn1.[Pt]
InChIInChI=1S/C19H17N5O.Pt/c1-14-12-17(22-24(14)16-10-6-7-11-20-16)25-18-13-23(2)19(21-18)15-8-4-3-5-9-15;/h3-8,10-13,19H,1-2H3;
InChIKeyAASWKFDUPSXZDR-UHFFFAOYSA-N
XLogP2.58
TPSA55.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.46
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-[(1-methyl-2-phenyl-2H-imidazol-1-ium-4-yl)oxy]pyrazol-1-yl]pyridine;platinum?
The IUPAC name of 2-[5-methyl-3-[(1-methyl-2-phenyl-2H-imidazol-1-ium-4-yl)oxy]pyrazol-1-yl]pyridine;platinum (CID 59661087) is 2-[5-methyl-3-[(1-methyl-2-phenyl-2H-imidazol-1-ium-4-yl)oxy]pyrazol-1-yl]pyridine;platinum.
What is the SMILES notation for 2-[5-methyl-3-[(1-methyl-2-phenyl-2H-imidazol-1-ium-4-yl)oxy]pyrazol-1-yl]pyridine;platinum?
The canonical SMILES for 2-[5-methyl-3-[(1-methyl-2-phenyl-2H-imidazol-1-ium-4-yl)oxy]pyrazol-1-yl]pyridine;platinum is Cc1cc(OC2=NC(c3[c-]cccc3)[N+](C)=C2)nn1-c1ccccn1.[Pt].
What is the InChIKey of 2-[5-methyl-3-[(1-methyl-2-phenyl-2H-imidazol-1-ium-4-yl)oxy]pyrazol-1-yl]pyridine;platinum?
The InChIKey is AASWKFDUPSXZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O.Pt/c1-14-12-17(22-24(14)16-10-6-7-11-20-16)25-18-13-23(2)19(21-18)15-8-4-3-5-9-15;/h3-8,10-13,19H,1-2H3;.
What are the key properties of 2-[5-methyl-3-[(1-methyl-2-phenyl-2H-imidazol-1-ium-4-yl)oxy]pyrazol-1-yl]pyridine;platinum?
2-[5-methyl-3-[(1-methyl-2-phenyl-2H-imidazol-1-ium-4-yl)oxy]pyrazol-1-yl]pyridine;platinum has a molecular weight of 526.46 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-[(1-methyl-2-phenyl-2H-imidazol-1-ium-4-yl)oxy]pyrazol-1-yl]pyridine;platinum is sourced from PubChem (CID 59661087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).