tributyl-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)stannane

C23H36N2Sn — CID 168741196

IUPACtributyl-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1c2c(nn1C)-c1ccccc1C2
InChIInChI=1S/C11H9N2.3C4H9.Sn/c1-13-7-9-6-8-4-2-3-5-10(8)11(9)12-13;3*1-3-4-2;/h2-5H,6H2,1H3;3*1,3-4H2,2H3;
InChIKeyODBDYSPLFIHPII-UHFFFAOYSA-N
MW459.27 g/mol
LogP6.05
Rot. Bonds10

About tributyl-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)stannane

tributyl-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)stannane (PubChem CID 168741196) has the molecular formula C23H36N2Sn and a molecular weight of 459.27 g/mol. Its IUPAC name is tributyl-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)stannane.

Molecular Properties

Compound Nametributyl-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)stannane
PubChem CID168741196
Molecular FormulaC23H36N2Sn
Molecular Weight459.27 g/mol
Exact Mass460.19
IUPAC Nametributyl-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1c2c(nn1C)-c1ccccc1C2
InChIInChI=1S/C11H9N2.3C4H9.Sn/c1-13-7-9-6-8-4-2-3-5-10(8)11(9)12-13;3*1-3-4-2;/h2-5H,6H2,1H3;3*1,3-4H2,2H3;
InChIKeyODBDYSPLFIHPII-UHFFFAOYSA-N
XLogP6.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.27
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)stannane?
The IUPAC name of tributyl-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)stannane (CID 168741196) is tributyl-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)stannane.
What is the SMILES notation for tributyl-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)stannane?
The canonical SMILES for tributyl-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1c2c(nn1C)-c1ccccc1C2.
What is the InChIKey of tributyl-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)stannane?
The InChIKey is ODBDYSPLFIHPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N2.3C4H9.Sn/c1-13-7-9-6-8-4-2-3-5-10(8)11(9)12-13;3*1-3-4-2;/h2-5H,6H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)stannane?
tributyl-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)stannane has a molecular weight of 459.27 g/mol, XLogP of 6.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)stannane is sourced from PubChem (CID 168741196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).