3-ethylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+)

C₁₇H₃₁N₅Ti — CID 169023773

About 3-ethylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+)

3-ethylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+) (PubChem CID 169023773) has the molecular formula C₁₇H₃₁N₅Ti and a molecular weight of 353.34 g/mol. Its IUPAC name is 3-ethylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+).

Molecular Properties

• Compound Name: 3-ethylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+)
• PubChem CID: 169023773
• Molecular Formula: C₁₇H₃₁N₅Ti
• Molecular Weight: 353.34 g/mol
• Exact Mass: 353.21
• IUPAC Name: 3-ethylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+)
• SMILES: C1CC[N-]C1.C1CC[N-]C1.C1CC[N-]C1.CCc1cc[n-]n1.[Ti+4]
• InChI: InChI=1S/C5H7N2.3C4H8N.Ti/c1-2-5-3-4-6-7-5;3*1-2-4-5-3-1;/h3-4H,2H2,1H3;3*1-4H2;/q4*-1;+4
• InChIKey: VLMZJNSFXJYZKQ-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 69.29 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.34
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3-ethylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+)?

The IUPAC name of 3-ethylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+) (CID 169023773) is 3-ethylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+).

What is the SMILES notation for 3-ethylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+)?

The canonical SMILES for 3-ethylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+) is C1CC[N-]C1.C1CC[N-]C1.C1CC[N-]C1.CCc1cc[n-]n1.[Ti+4].

What is the InChIKey of 3-ethylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+)?

The InChIKey is VLMZJNSFXJYZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N2.3C4H8N.Ti/c1-2-5-3-4-6-7-5;3*1-2-4-5-3-1;/h3-4H,2H2,1H3;3*1-4H2;/q4*-1;+4.

What are the key properties of 3-ethylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+)?

3-ethylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+) has a molecular weight of 353.34 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+) is sourced from PubChem (CID 169023773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 169023773 — identifiers, structure, computed properties (public domain)

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