Tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide

C₁₈H₃₃N₅Ti — CID 169023747

About Tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide

Tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide (PubChem CID 169023747) has the molecular formula C₁₈H₃₃N₅Ti and a molecular weight of 367.36 g/mol. Its IUPAC name is tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide.

Molecular Properties

• Compound Name: Tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide
• PubChem CID: 169023747
• Molecular Formula: C₁₈H₃₃N₅Ti
• Molecular Weight: 367.36 g/mol
• Exact Mass: 367.22
• IUPAC Name: tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide
• SMILES: C1CC[N-]C1.C1CC[N-]C1.C1CC[N-]C1.Cc1n[n-]c(C)c1C.[Ti+4]
• InChI: InChI=1S/C6H9N2.3C4H8N.Ti/c1-4-5(2)7-8-6(4)3;3*1-2-4-5-3-1;/h1-3H3;3*1-4H2;/q4*-1;+4
• InChIKey: ISFFHQOLIBHBKA-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 69.29 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.36
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide?

The IUPAC name of Tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide (CID 169023747) is tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide.

What is the SMILES notation for Tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide?

The canonical SMILES for Tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide is C1CC[N-]C1.C1CC[N-]C1.C1CC[N-]C1.Cc1n[n-]c(C)c1C.[Ti+4].

What is the InChIKey of Tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide?

The InChIKey is ISFFHQOLIBHBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2.3C4H8N.Ti/c1-4-5(2)7-8-6(4)3;3*1-2-4-5-3-1;/h1-3H3;3*1-4H2;/q4*-1;+4.

What are the key properties of Tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide?

Tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide has a molecular weight of 367.36 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide is sourced from PubChem (CID 169023747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 169023747 — identifiers, structure, computed properties (public domain)

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