5-tributylstannyl-1H-pyrazole-3-carbaldehyde

C16H30N2OSn — CID 59511274

IUPAC5-tributylstannyl-1H-pyrazole-3-carbaldehyde
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C=O)n[nH]1
InChIInChI=1S/C4H3N2O.3C4H9.Sn/c7-3-4-1-2-5-6-4;3*1-3-4-2;/h1,3H,(H,5,6);3*1,3-4H2,2H3;
InChIKeyPWBZENDUCHGMQJ-UHFFFAOYSA-N
MW385.14 g/mol
LogP4.28
Rot. Bonds11

About 5-tributylstannyl-1H-pyrazole-3-carbaldehyde

5-tributylstannyl-1H-pyrazole-3-carbaldehyde (PubChem CID 59511274) has the molecular formula C16H30N2OSn and a molecular weight of 385.14 g/mol. Its IUPAC name is 5-tributylstannyl-1H-pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name5-tributylstannyl-1H-pyrazole-3-carbaldehyde
PubChem CID59511274
Molecular FormulaC16H30N2OSn
Molecular Weight385.14 g/mol
Exact Mass386.14
IUPAC Name5-tributylstannyl-1H-pyrazole-3-carbaldehyde
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C=O)n[nH]1
InChIInChI=1S/C4H3N2O.3C4H9.Sn/c7-3-4-1-2-5-6-4;3*1-3-4-2;/h1,3H,(H,5,6);3*1,3-4H2,2H3;
InChIKeyPWBZENDUCHGMQJ-UHFFFAOYSA-N
XLogP4.28
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.14
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-tributylstannyl-1H-pyrazole-3-carbaldehyde?
The IUPAC name of 5-tributylstannyl-1H-pyrazole-3-carbaldehyde (CID 59511274) is 5-tributylstannyl-1H-pyrazole-3-carbaldehyde.
What is the SMILES notation for 5-tributylstannyl-1H-pyrazole-3-carbaldehyde?
The canonical SMILES for 5-tributylstannyl-1H-pyrazole-3-carbaldehyde is CCCC[Sn](CCCC)(CCCC)c1cc(C=O)n[nH]1.
What is the InChIKey of 5-tributylstannyl-1H-pyrazole-3-carbaldehyde?
The InChIKey is PWBZENDUCHGMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N2O.3C4H9.Sn/c7-3-4-1-2-5-6-4;3*1-3-4-2;/h1,3H,(H,5,6);3*1,3-4H2,2H3;.
What are the key properties of 5-tributylstannyl-1H-pyrazole-3-carbaldehyde?
5-tributylstannyl-1H-pyrazole-3-carbaldehyde has a molecular weight of 385.14 g/mol, XLogP of 4.28, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tributylstannyl-1H-pyrazole-3-carbaldehyde is sourced from PubChem (CID 59511274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).