5-methoxy-3-[2-(5-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+)

C23H22N4O2Pt — CID 58704633

IUPAC5-methoxy-3-[2-(5-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+)
SMILESCOc1cc(C(C)(C)c2cc(OC)n(-c3[c-]cccc3)n2)nn1-c1[c-]cccc1.[Pt+2]
InChIInChI=1S/C23H22N4O2.Pt/c1-23(2,19-15-21(28-3)26(24-19)17-11-7-5-8-12-17)20-16-22(29-4)27(25-20)18-13-9-6-10-14-18;/h5-11,13,15-16H,1-4H3;/q-2;+2
InChIKeyZHTWJRVSTZMQCO-UHFFFAOYSA-N
MW581.53 g/mol
LogP4.00
Rot. Bonds6

About 5-methoxy-3-[2-(5-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+)

5-methoxy-3-[2-(5-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+) (PubChem CID 58704633) has the molecular formula C23H22N4O2Pt and a molecular weight of 581.53 g/mol. Its IUPAC name is 5-methoxy-3-[2-(5-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+).

Molecular Properties

Compound Name5-methoxy-3-[2-(5-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+)
PubChem CID58704633
Molecular FormulaC23H22N4O2Pt
Molecular Weight581.53 g/mol
Exact Mass581.14
IUPAC Name5-methoxy-3-[2-(5-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+)
SMILESCOc1cc(C(C)(C)c2cc(OC)n(-c3[c-]cccc3)n2)nn1-c1[c-]cccc1.[Pt+2]
InChIInChI=1S/C23H22N4O2.Pt/c1-23(2,19-15-21(28-3)26(24-19)17-11-7-5-8-12-17)20-16-22(29-4)27(25-20)18-13-9-6-10-14-18;/h5-11,13,15-16H,1-4H3;/q-2;+2
InChIKeyZHTWJRVSTZMQCO-UHFFFAOYSA-N
XLogP4.00
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[2-(5-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+)?
The IUPAC name of 5-methoxy-3-[2-(5-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+) (CID 58704633) is 5-methoxy-3-[2-(5-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+).
What is the SMILES notation for 5-methoxy-3-[2-(5-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+)?
The canonical SMILES for 5-methoxy-3-[2-(5-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+) is COc1cc(C(C)(C)c2cc(OC)n(-c3[c-]cccc3)n2)nn1-c1[c-]cccc1.[Pt+2].
What is the InChIKey of 5-methoxy-3-[2-(5-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+)?
The InChIKey is ZHTWJRVSTZMQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2.Pt/c1-23(2,19-15-21(28-3)26(24-19)17-11-7-5-8-12-17)20-16-22(29-4)27(25-20)18-13-9-6-10-14-18;/h5-11,13,15-16H,1-4H3;/q-2;+2.
What are the key properties of 5-methoxy-3-[2-(5-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+)?
5-methoxy-3-[2-(5-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+) has a molecular weight of 581.53 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[2-(5-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+) is sourced from PubChem (CID 58704633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).