[2-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-2-oxoethyl]-triphenylphosphanium

C30H26N2O2P+ — CID 10719372

IUPAC[2-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-2-oxoethyl]-triphenylphosphanium
SMILESCn1[nH]c(-c2ccccc2)c(C(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C30H25N2O2P/c1-32-30(34)28(29(31-32)23-14-6-2-7-15-23)27(33)22-35(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21H,22H2,1H3/p+1
InChIKeyYCXNKWDBEOIZBW-UHFFFAOYSA-O
MW477.52 g/mol
LogP4.56
Rot. Bonds7

About [2-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-2-oxoethyl]-triphenylphosphanium

[2-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-2-oxoethyl]-triphenylphosphanium (PubChem CID 10719372) has the molecular formula C30H26N2O2P+ and a molecular weight of 477.52 g/mol. Its IUPAC name is [2-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-2-oxoethyl]-triphenylphosphanium.

Molecular Properties

Compound Name[2-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-2-oxoethyl]-triphenylphosphanium
PubChem CID10719372
Molecular FormulaC30H26N2O2P+
Molecular Weight477.52 g/mol
Exact Mass477.17
IUPAC Name[2-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-2-oxoethyl]-triphenylphosphanium
SMILESCn1[nH]c(-c2ccccc2)c(C(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C30H25N2O2P/c1-32-30(34)28(29(31-32)23-14-6-2-7-15-23)27(33)22-35(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21H,22H2,1H3/p+1
InChIKeyYCXNKWDBEOIZBW-UHFFFAOYSA-O
XLogP4.56
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-2-oxoethyl]-triphenylphosphanium 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

2,4-dimethyl-5-phenyl-1H-pyrazol-3-one
CID 10899399
2-methyl-3-oxo-5-phenyl-1H-pyrazole-4-carbonitrile
CID 15145032
(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)iminourea
CID 135888497
tris(carboxymethyl(triphenyl)phosphanium);ruthenium
CID 154640778
(2-oxo-3-triphenylphosphaniumylpropyl)-triphenylphosphanium;dihydrobromide
CID 126957206
4-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)diazenyl]benzoic acid
CID 166597262
[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-triphenylphosphanium
CID 11743885
3-phenyl-4-propanoyl-2H-1,2-oxazol-5-one
CID 14955905
4-benzoyl-2,5-diphenyl-1H-pyrazol-3-one
CID 12053553
[2-(2-methylsulfinylphenyl)-2-oxoethyl]-triphenylphosphanium
CID 139734255
3-oxo-2,5-diphenyl-1H-pyrazole-4-carboxylate
CID 2384840
2-oxopentyl(triphenyl)phosphanium
CID 20542903

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-2-oxoethyl]-triphenylphosphanium?
The IUPAC name of [2-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-2-oxoethyl]-triphenylphosphanium (CID 10719372) is [2-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-2-oxoethyl]-triphenylphosphanium.
What is the SMILES notation for [2-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-2-oxoethyl]-triphenylphosphanium?
The canonical SMILES for [2-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-2-oxoethyl]-triphenylphosphanium is Cn1[nH]c(-c2ccccc2)c(C(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1=O.
What is the InChIKey of [2-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-2-oxoethyl]-triphenylphosphanium?
The InChIKey is YCXNKWDBEOIZBW-UHFFFAOYSA-O. The full InChI is InChI=1S/C30H25N2O2P/c1-32-30(34)28(29(31-32)23-14-6-2-7-15-23)27(33)22-35(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21H,22H2,1H3/p+1.
What are the key properties of [2-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-2-oxoethyl]-triphenylphosphanium?
[2-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-2-oxoethyl]-triphenylphosphanium has a molecular weight of 477.52 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-2-oxoethyl]-triphenylphosphanium is sourced from PubChem (CID 10719372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).