[2-(5-diethoxyphosphorylpyridine-2-carbonyl)pyrazol-3-yl]-diethoxy-hydroxyphosphanium

C17H26N3O7P2+ — CID 57156520

IUPAC[2-(5-diethoxyphosphorylpyridine-2-carbonyl)pyrazol-3-yl]-diethoxy-hydroxyphosphanium
SMILESCCOP(=O)(OCC)c1ccc(C(=O)n2nccc2[P+](O)(OCC)OCC)nc1
InChIInChI=1S/C17H26N3O7P2/c1-5-24-28(22,25-6-2)14-9-10-15(18-13-14)17(21)20-16(11-12-19-20)29(23,26-7-3)27-8-4/h9-13,23H,5-8H2,1-4H3/q+1
InChIKeyFCIGWHXJLOQMCC-UHFFFAOYSA-N
MW446.36 g/mol
LogP2.31
Rot. Bonds11

About [2-(5-diethoxyphosphorylpyridine-2-carbonyl)pyrazol-3-yl]-diethoxy-hydroxyphosphanium

[2-(5-diethoxyphosphorylpyridine-2-carbonyl)pyrazol-3-yl]-diethoxy-hydroxyphosphanium (PubChem CID 57156520) has the molecular formula C17H26N3O7P2+ and a molecular weight of 446.36 g/mol. Its IUPAC name is [2-(5-diethoxyphosphorylpyridine-2-carbonyl)pyrazol-3-yl]-diethoxy-hydroxyphosphanium.

Molecular Properties

Compound Name[2-(5-diethoxyphosphorylpyridine-2-carbonyl)pyrazol-3-yl]-diethoxy-hydroxyphosphanium
PubChem CID57156520
Molecular FormulaC17H26N3O7P2+
Molecular Weight446.36 g/mol
Exact Mass446.12
IUPAC Name[2-(5-diethoxyphosphorylpyridine-2-carbonyl)pyrazol-3-yl]-diethoxy-hydroxyphosphanium
SMILESCCOP(=O)(OCC)c1ccc(C(=O)n2nccc2[P+](O)(OCC)OCC)nc1
InChIInChI=1S/C17H26N3O7P2/c1-5-24-28(22,25-6-2)14-9-10-15(18-13-14)17(21)20-16(11-12-19-20)29(23,26-7-3)27-8-4/h9-13,23H,5-8H2,1-4H3/q+1
InChIKeyFCIGWHXJLOQMCC-UHFFFAOYSA-N
XLogP2.31
TPSA122.00 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [2-(5-diethoxyphosphorylpyridine-2-carbonyl)pyrazol-3-yl]-diethoxy-hydroxyphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-diethoxyphosphoryl-2-(5-diethoxyphosphoryl-2-pyridinyl)pyridine
CID 53249416
4-diethoxyphosphoryl-1,2-dimethylbenzene
CID 10966692
2-(4-diethoxyphosphorylphenyl)-4-methylpyridine
CID 138627774
2-(4-diethoxyphosphorylphenyl)acetic acid
CID 87462218
N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide;yttrium
CID 59649390
2-diethoxyphosphoryl-3-fluoro-5-propan-2-ylpyridine
CID 176651267
tris(4-diethoxyphosphorylphenyl)phosphane
CID 10675951
2-diethoxyphosphoryl-5-propan-2-ylpyridine
CID 176650891
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
2-(4-diethoxyphosphoryl-2-methylphenyl)-5-methylpyrimidine
CID 88769207
N-[5-[diethoxyphosphoryl(hydroxy)methyl]pyrazin-2-yl]acetamide
CID 59649391
6-diethoxyphosphorylnaphthalen-2-ol
CID 10492986

Frequently Asked Questions

What is the IUPAC name of [2-(5-diethoxyphosphorylpyridine-2-carbonyl)pyrazol-3-yl]-diethoxy-hydroxyphosphanium?
The IUPAC name of [2-(5-diethoxyphosphorylpyridine-2-carbonyl)pyrazol-3-yl]-diethoxy-hydroxyphosphanium (CID 57156520) is [2-(5-diethoxyphosphorylpyridine-2-carbonyl)pyrazol-3-yl]-diethoxy-hydroxyphosphanium.
What is the SMILES notation for [2-(5-diethoxyphosphorylpyridine-2-carbonyl)pyrazol-3-yl]-diethoxy-hydroxyphosphanium?
The canonical SMILES for [2-(5-diethoxyphosphorylpyridine-2-carbonyl)pyrazol-3-yl]-diethoxy-hydroxyphosphanium is CCOP(=O)(OCC)c1ccc(C(=O)n2nccc2[P+](O)(OCC)OCC)nc1.
What is the InChIKey of [2-(5-diethoxyphosphorylpyridine-2-carbonyl)pyrazol-3-yl]-diethoxy-hydroxyphosphanium?
The InChIKey is FCIGWHXJLOQMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N3O7P2/c1-5-24-28(22,25-6-2)14-9-10-15(18-13-14)17(21)20-16(11-12-19-20)29(23,26-7-3)27-8-4/h9-13,23H,5-8H2,1-4H3/q+1.
What are the key properties of [2-(5-diethoxyphosphorylpyridine-2-carbonyl)pyrazol-3-yl]-diethoxy-hydroxyphosphanium?
[2-(5-diethoxyphosphorylpyridine-2-carbonyl)pyrazol-3-yl]-diethoxy-hydroxyphosphanium has a molecular weight of 446.36 g/mol, XLogP of 2.31, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-diethoxyphosphorylpyridine-2-carbonyl)pyrazol-3-yl]-diethoxy-hydroxyphosphanium is sourced from PubChem (CID 57156520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).