5-methyl-3-propan-2-ylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+)

C19H35N5Ti — CID 169023756

IUPAC5-methyl-3-propan-2-ylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+)
SMILESC1CC[N-]C1.C1CC[N-]C1.C1CC[N-]C1.Cc1cc(C(C)C)n[n-]1.[Ti+4]
InChIInChI=1S/C7H11N2.3C4H8N.Ti/c1-5(2)7-4-6(3)8-9-7;3*1-2-4-5-3-1;/h4-5H,1-3H3;3*1-4H2;/q4*-1;+4
InChIKeyOGIXEDJELAHBOF-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.93
Rot. Bonds1

About 5-methyl-3-propan-2-ylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+)

5-methyl-3-propan-2-ylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+) (PubChem CID 169023756) has the molecular formula C19H35N5Ti and a molecular weight of 381.39 g/mol. Its IUPAC name is 5-methyl-3-propan-2-ylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+).

Molecular Properties

Compound Name5-methyl-3-propan-2-ylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+)
PubChem CID169023756
Molecular FormulaC19H35N5Ti
Molecular Weight381.39 g/mol
Exact Mass381.24
IUPAC Name5-methyl-3-propan-2-ylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+)
SMILESC1CC[N-]C1.C1CC[N-]C1.C1CC[N-]C1.Cc1cc(C(C)C)n[n-]1.[Ti+4]
InChIInChI=1S/C7H11N2.3C4H8N.Ti/c1-5(2)7-4-6(3)8-9-7;3*1-2-4-5-3-1;/h4-5H,1-3H3;3*1-4H2;/q4*-1;+4
InChIKeyOGIXEDJELAHBOF-UHFFFAOYSA-N
XLogP4.93
TPSA69.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-ylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+)?
The IUPAC name of 5-methyl-3-propan-2-ylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+) (CID 169023756) is 5-methyl-3-propan-2-ylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+).
What is the SMILES notation for 5-methyl-3-propan-2-ylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+)?
The canonical SMILES for 5-methyl-3-propan-2-ylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+) is C1CC[N-]C1.C1CC[N-]C1.C1CC[N-]C1.Cc1cc(C(C)C)n[n-]1.[Ti+4].
What is the InChIKey of 5-methyl-3-propan-2-ylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+)?
The InChIKey is OGIXEDJELAHBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2.3C4H8N.Ti/c1-5(2)7-4-6(3)8-9-7;3*1-2-4-5-3-1;/h4-5H,1-3H3;3*1-4H2;/q4*-1;+4.
What are the key properties of 5-methyl-3-propan-2-ylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+)?
5-methyl-3-propan-2-ylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+) has a molecular weight of 381.39 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-ylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+) is sourced from PubChem (CID 169023756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).