ethoxy-oxo-(1H-pyrazol-4-yl)phosphanium

C5H8N2O2P+ — CID 118001122

IUPACethoxy-oxo-(1H-pyrazol-4-yl)phosphanium
SMILESCCO[P+](=O)c1cn[nH]c1
InChIInChI=1S/C5H8N2O2P/c1-2-9-10(8)5-3-6-7-4-5/h3-4H,2H2,1H3,(H,6,7)/q+1
InChIKeyQHCVCOMEQASMNV-UHFFFAOYSA-N
MW159.11 g/mol
LogP0.81
Rot. Bonds3

About ethoxy-oxo-(1H-pyrazol-4-yl)phosphanium

ethoxy-oxo-(1H-pyrazol-4-yl)phosphanium (PubChem CID 118001122) has the molecular formula C5H8N2O2P+ and a molecular weight of 159.11 g/mol. Its IUPAC name is ethoxy-oxo-(1H-pyrazol-4-yl)phosphanium.

Molecular Properties

Compound Nameethoxy-oxo-(1H-pyrazol-4-yl)phosphanium
PubChem CID118001122
Molecular FormulaC5H8N2O2P+
Molecular Weight159.11 g/mol
Exact Mass159.03
IUPAC Nameethoxy-oxo-(1H-pyrazol-4-yl)phosphanium
SMILESCCO[P+](=O)c1cn[nH]c1
InChIInChI=1S/C5H8N2O2P/c1-2-9-10(8)5-3-6-7-4-5/h3-4H,2H2,1H3,(H,6,7)/q+1
InChIKeyQHCVCOMEQASMNV-UHFFFAOYSA-N
XLogP0.81
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.11
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-oxo-(1H-pyrazol-4-yl)phosphanium?
The IUPAC name of ethoxy-oxo-(1H-pyrazol-4-yl)phosphanium (CID 118001122) is ethoxy-oxo-(1H-pyrazol-4-yl)phosphanium.
What is the SMILES notation for ethoxy-oxo-(1H-pyrazol-4-yl)phosphanium?
The canonical SMILES for ethoxy-oxo-(1H-pyrazol-4-yl)phosphanium is CCO[P+](=O)c1cn[nH]c1.
What is the InChIKey of ethoxy-oxo-(1H-pyrazol-4-yl)phosphanium?
The InChIKey is QHCVCOMEQASMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2P/c1-2-9-10(8)5-3-6-7-4-5/h3-4H,2H2,1H3,(H,6,7)/q+1.
What are the key properties of ethoxy-oxo-(1H-pyrazol-4-yl)phosphanium?
ethoxy-oxo-(1H-pyrazol-4-yl)phosphanium has a molecular weight of 159.11 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-(1H-pyrazol-4-yl)phosphanium is sourced from PubChem (CID 118001122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).