tributyl-(3,5-dimethyl-1H-pyrazol-4-yl)stannane

C17H34N2Sn — CID 15738842

IUPACtributyl-(3,5-dimethyl-1H-pyrazol-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1c(C)n[nH]c1C
InChIInChI=1S/C5H7N2.3C4H9.Sn/c1-4-3-5(2)7-6-4;3*1-3-4-2;/h1-2H3,(H,6,7);3*1,3-4H2,2H3;
InChIKeyQXEVMUDFKAMNDZ-UHFFFAOYSA-N
MW385.18 g/mol
LogP5.08
Rot. Bonds10

About tributyl-(3,5-dimethyl-1H-pyrazol-4-yl)stannane

tributyl-(3,5-dimethyl-1H-pyrazol-4-yl)stannane (PubChem CID 15738842) has the molecular formula C17H34N2Sn and a molecular weight of 385.18 g/mol. Its IUPAC name is tributyl-(3,5-dimethyl-1H-pyrazol-4-yl)stannane.

Molecular Properties

Compound Nametributyl-(3,5-dimethyl-1H-pyrazol-4-yl)stannane
PubChem CID15738842
Molecular FormulaC17H34N2Sn
Molecular Weight385.18 g/mol
Exact Mass386.17
IUPAC Nametributyl-(3,5-dimethyl-1H-pyrazol-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1c(C)n[nH]c1C
InChIInChI=1S/C5H7N2.3C4H9.Sn/c1-4-3-5(2)7-6-4;3*1-3-4-2;/h1-2H3,(H,6,7);3*1,3-4H2,2H3;
InChIKeyQXEVMUDFKAMNDZ-UHFFFAOYSA-N
XLogP5.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.18
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tributyl-(3,5-dimethyl-1H-pyrazol-4-yl)stannane?
The IUPAC name of tributyl-(3,5-dimethyl-1H-pyrazol-4-yl)stannane (CID 15738842) is tributyl-(3,5-dimethyl-1H-pyrazol-4-yl)stannane.
What is the SMILES notation for tributyl-(3,5-dimethyl-1H-pyrazol-4-yl)stannane?
The canonical SMILES for tributyl-(3,5-dimethyl-1H-pyrazol-4-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1c(C)n[nH]c1C.
What is the InChIKey of tributyl-(3,5-dimethyl-1H-pyrazol-4-yl)stannane?
The InChIKey is QXEVMUDFKAMNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N2.3C4H9.Sn/c1-4-3-5(2)7-6-4;3*1-3-4-2;/h1-2H3,(H,6,7);3*1,3-4H2,2H3;.
What are the key properties of tributyl-(3,5-dimethyl-1H-pyrazol-4-yl)stannane?
tributyl-(3,5-dimethyl-1H-pyrazol-4-yl)stannane has a molecular weight of 385.18 g/mol, XLogP of 5.08, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(3,5-dimethyl-1H-pyrazol-4-yl)stannane is sourced from PubChem (CID 15738842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).