ethoxycarbonyl(1H-pyrazol-5-yl)tin

C6H8N2O2Sn — CID 141085527

IUPACethoxycarbonyl(1H-pyrazol-5-yl)tin
SMILESCCOC(=O)[Sn]c1ccn[nH]1
InChIInChI=1S/C3H3N2.C3H5O2.Sn/c1-2-4-5-3-1;1-2-5-3-4;/h1-2H,(H,4,5);2H2,1H3;
InChIKeyIKPGGPCZIGHYKI-UHFFFAOYSA-N
MW258.85 g/mol
LogP-0.10
Rot. Bonds3

About ethoxycarbonyl(1H-pyrazol-5-yl)tin

ethoxycarbonyl(1H-pyrazol-5-yl)tin (PubChem CID 141085527) has the molecular formula C6H8N2O2Sn and a molecular weight of 258.85 g/mol. Its IUPAC name is ethoxycarbonyl(1H-pyrazol-5-yl)tin.

Molecular Properties

Compound Nameethoxycarbonyl(1H-pyrazol-5-yl)tin
PubChem CID141085527
Molecular FormulaC6H8N2O2Sn
Molecular Weight258.85 g/mol
Exact Mass259.96
IUPAC Nameethoxycarbonyl(1H-pyrazol-5-yl)tin
SMILESCCOC(=O)[Sn]c1ccn[nH]1
InChIInChI=1S/C3H3N2.C3H5O2.Sn/c1-2-4-5-3-1;1-2-5-3-4;/h1-2H,(H,4,5);2H2,1H3;
InChIKeyIKPGGPCZIGHYKI-UHFFFAOYSA-N
XLogP-0.10
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.85
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethoxycarbonyl(1H-pyrazol-5-yl)tin?
The IUPAC name of ethoxycarbonyl(1H-pyrazol-5-yl)tin (CID 141085527) is ethoxycarbonyl(1H-pyrazol-5-yl)tin.
What is the SMILES notation for ethoxycarbonyl(1H-pyrazol-5-yl)tin?
The canonical SMILES for ethoxycarbonyl(1H-pyrazol-5-yl)tin is CCOC(=O)[Sn]c1ccn[nH]1.
What is the InChIKey of ethoxycarbonyl(1H-pyrazol-5-yl)tin?
The InChIKey is IKPGGPCZIGHYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N2.C3H5O2.Sn/c1-2-4-5-3-1;1-2-5-3-4;/h1-2H,(H,4,5);2H2,1H3;.
What are the key properties of ethoxycarbonyl(1H-pyrazol-5-yl)tin?
ethoxycarbonyl(1H-pyrazol-5-yl)tin has a molecular weight of 258.85 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycarbonyl(1H-pyrazol-5-yl)tin is sourced from PubChem (CID 141085527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).