tributyl-(1-propan-2-ylpyrazol-4-yl)stannane

C18H36N2Sn — CID 58266758

IUPACtributyl-(1-propan-2-ylpyrazol-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnn(C(C)C)c1
InChIInChI=1S/C6H9N2.3C4H9.Sn/c1-6(2)8-5-3-4-7-8;3*1-3-4-2;/h4-6H,1-2H3;3*1,3-4H2,2H3;
InChIKeyYGAZAQUKQUZXJU-UHFFFAOYSA-N
MW399.21 g/mol
LogP5.52
Rot. Bonds11

About tributyl-(1-propan-2-ylpyrazol-4-yl)stannane

tributyl-(1-propan-2-ylpyrazol-4-yl)stannane (PubChem CID 58266758) has the molecular formula C18H36N2Sn and a molecular weight of 399.21 g/mol. Its IUPAC name is tributyl-(1-propan-2-ylpyrazol-4-yl)stannane.

Molecular Properties

Compound Nametributyl-(1-propan-2-ylpyrazol-4-yl)stannane
PubChem CID58266758
Molecular FormulaC18H36N2Sn
Molecular Weight399.21 g/mol
Exact Mass400.19
IUPAC Nametributyl-(1-propan-2-ylpyrazol-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnn(C(C)C)c1
InChIInChI=1S/C6H9N2.3C4H9.Sn/c1-6(2)8-5-3-4-7-8;3*1-3-4-2;/h4-6H,1-2H3;3*1,3-4H2,2H3;
InChIKeyYGAZAQUKQUZXJU-UHFFFAOYSA-N
XLogP5.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.21
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-(1-propan-2-ylpyrazol-4-yl)stannane?
The IUPAC name of tributyl-(1-propan-2-ylpyrazol-4-yl)stannane (CID 58266758) is tributyl-(1-propan-2-ylpyrazol-4-yl)stannane.
What is the SMILES notation for tributyl-(1-propan-2-ylpyrazol-4-yl)stannane?
The canonical SMILES for tributyl-(1-propan-2-ylpyrazol-4-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cnn(C(C)C)c1.
What is the InChIKey of tributyl-(1-propan-2-ylpyrazol-4-yl)stannane?
The InChIKey is YGAZAQUKQUZXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2.3C4H9.Sn/c1-6(2)8-5-3-4-7-8;3*1-3-4-2;/h4-6H,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(1-propan-2-ylpyrazol-4-yl)stannane?
tributyl-(1-propan-2-ylpyrazol-4-yl)stannane has a molecular weight of 399.21 g/mol, XLogP of 5.52, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(1-propan-2-ylpyrazol-4-yl)stannane is sourced from PubChem (CID 58266758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).