(1-methyl-5,5-diphenyl-4H-pyrazol-3-yl)-triphenylphosphanium

C34H30N2P+ — CID 6332737

IUPAC(1-methyl-5,5-diphenyl-4H-pyrazol-3-yl)-triphenylphosphanium
SMILESCN1N=C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H30N2P/c1-36-34(28-17-7-2-8-18-28,29-19-9-3-10-20-29)27-33(35-36)37(30-21-11-4-12-22-30,31-23-13-5-14-24-31)32-25-15-6-16-26-32/h2-26H,27H2,1H3/q+1
InChIKeyZIOSZASLTHIUII-UHFFFAOYSA-N
MW497.60 g/mol
LogP6.57
Rot. Bonds6

About (1-methyl-5,5-diphenyl-4H-pyrazol-3-yl)-triphenylphosphanium

(1-methyl-5,5-diphenyl-4H-pyrazol-3-yl)-triphenylphosphanium (PubChem CID 6332737) has the molecular formula C34H30N2P+ and a molecular weight of 497.60 g/mol. Its IUPAC name is (1-methyl-5,5-diphenyl-4H-pyrazol-3-yl)-triphenylphosphanium.

Molecular Properties

Compound Name(1-methyl-5,5-diphenyl-4H-pyrazol-3-yl)-triphenylphosphanium
PubChem CID6332737
Molecular FormulaC34H30N2P+
Molecular Weight497.60 g/mol
Exact Mass497.21
IUPAC Name(1-methyl-5,5-diphenyl-4H-pyrazol-3-yl)-triphenylphosphanium
SMILESCN1N=C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H30N2P/c1-36-34(28-17-7-2-8-18-28,29-19-9-3-10-20-29)27-33(35-36)37(30-21-11-4-12-22-30,31-23-13-5-14-24-31)32-25-15-6-16-26-32/h2-26H,27H2,1H3/q+1
InChIKeyZIOSZASLTHIUII-UHFFFAOYSA-N
XLogP6.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-methyl-5,5-diphenyl-4H-pyrazol-3-yl)-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

3-fluoro-1-methyl-3-phenylazetidine
CID 126996744
(1',3'-dioxospiro[1,4-dihydropyrazole-5,2'-indene]-3-yl)-triphenylphosphanium
CID 25148971
triphenyl-[2-(5-triphenylphosphaniumyl-3,4-dihydropyrazol-2-yl)ethyl]phosphanium bromide
CID 54599228
palladium;tetraphenylphosphanium
CID 76575044
4,5-dihydro-1H-pyrazol-3-yl(triphenyl)phosphanium;hydrobromide
CID 126959573
1,4-dimethyl-3,6-diphenyl-1,2,4,5-tetrazine
CID 621971
(2R)-1,2-dimethyl-2-phenylaziridine
CID 102030003
cyclobutane;1-methyl-2,2-diphenylpiperidin-4-amine
CID 18431539
1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one
CID 713990
9H-fluorene;methyl(triphenyl)phosphanium;iodide
CID 174597784
tetraphenylphosphanium;trifluorophosphane
CID 175419552
1,4-diphenylbenzene;1-methylpiperidine
CID 175507613

Frequently Asked Questions

What is the IUPAC name of (1-methyl-5,5-diphenyl-4H-pyrazol-3-yl)-triphenylphosphanium?
The IUPAC name of (1-methyl-5,5-diphenyl-4H-pyrazol-3-yl)-triphenylphosphanium (CID 6332737) is (1-methyl-5,5-diphenyl-4H-pyrazol-3-yl)-triphenylphosphanium.
What is the SMILES notation for (1-methyl-5,5-diphenyl-4H-pyrazol-3-yl)-triphenylphosphanium?
The canonical SMILES for (1-methyl-5,5-diphenyl-4H-pyrazol-3-yl)-triphenylphosphanium is CN1N=C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-methyl-5,5-diphenyl-4H-pyrazol-3-yl)-triphenylphosphanium?
The InChIKey is ZIOSZASLTHIUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2P/c1-36-34(28-17-7-2-8-18-28,29-19-9-3-10-20-29)27-33(35-36)37(30-21-11-4-12-22-30,31-23-13-5-14-24-31)32-25-15-6-16-26-32/h2-26H,27H2,1H3/q+1.
What are the key properties of (1-methyl-5,5-diphenyl-4H-pyrazol-3-yl)-triphenylphosphanium?
(1-methyl-5,5-diphenyl-4H-pyrazol-3-yl)-triphenylphosphanium has a molecular weight of 497.60 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5,5-diphenyl-4H-pyrazol-3-yl)-triphenylphosphanium is sourced from PubChem (CID 6332737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).