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

C17H31N5Ti — CID 169023773

IUPAC3-ethylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+)
SMILESC1CC[N-]C1.C1CC[N-]C1.C1CC[N-]C1.CCc1cc[n-]n1.[Ti+4]
InChIInChI=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
InChIKeyVLMZJNSFXJYZKQ-UHFFFAOYSA-N
MW353.34 g/mol
LogP4.06
Rot. Bonds1

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 Name3-ethylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+)
PubChem CID169023773
Molecular FormulaC17H31N5Ti
Molecular Weight353.34 g/mol
Exact Mass353.21
IUPAC Name3-ethylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+)
SMILESC1CC[N-]C1.C1CC[N-]C1.C1CC[N-]C1.CCc1cc[n-]n1.[Ti+4]
InChIInChI=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
InChIKeyVLMZJNSFXJYZKQ-UHFFFAOYSA-N
XLogP4.06
TPSA69.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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).