4,4-diethyl-1-oxido-3,5-diphenylpyrazol-1-ium

C19H20N2O — CID 12605660

IUPAC4,4-diethyl-1-oxido-3,5-diphenylpyrazol-1-ium
SMILESCCC1(CC)C(c2ccccc2)=N[N+]([O-])=C1c1ccccc1
InChIInChI=1S/C19H20N2O/c1-3-19(4-2)17(15-11-7-5-8-12-15)20-21(22)18(19)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeySAKRMUWMMHTCRG-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.21
Rot. Bonds4

About 4,4-diethyl-1-oxido-3,5-diphenylpyrazol-1-ium

4,4-diethyl-1-oxido-3,5-diphenylpyrazol-1-ium (PubChem CID 12605660) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 4,4-diethyl-1-oxido-3,5-diphenylpyrazol-1-ium.

Molecular Properties

Compound Name4,4-diethyl-1-oxido-3,5-diphenylpyrazol-1-ium
PubChem CID12605660
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name4,4-diethyl-1-oxido-3,5-diphenylpyrazol-1-ium
SMILESCCC1(CC)C(c2ccccc2)=N[N+]([O-])=C1c1ccccc1
InChIInChI=1S/C19H20N2O/c1-3-19(4-2)17(15-11-7-5-8-12-15)20-21(22)18(19)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeySAKRMUWMMHTCRG-UHFFFAOYSA-N
XLogP4.21
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Benzophenone oxime
CID 11324
Diphenylmethylidenehydrazine
CID 79304
Benzil dioxime
CID 135405330
Benzophenone, O-methyloxime
CID 247342
Ethanone, 1,2-diphenyl-, oxime
CID 5355453
Diphenylethanedione dihydrazone
CID 5356523
1-Phenylethanone 2-(1-phenylethylidene)hydrazone
CID 95250
Ethanone, 1-phenyl-, 2-(1-phenylethylidene)hydrazone
CID 5367154
1,1'-(Diazomethylene)bis(benzene)
CID 61230
Diphenylglyoxime
CID 135419028
N-(1,5-diphenylpentan-3-ylidene)hydroxylamine
CID 225565
2,2-Dimethyl-4,5-diphenyl-2h-imidazole
CID 247140

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-1-oxido-3,5-diphenylpyrazol-1-ium?
The IUPAC name of 4,4-diethyl-1-oxido-3,5-diphenylpyrazol-1-ium (CID 12605660) is 4,4-diethyl-1-oxido-3,5-diphenylpyrazol-1-ium.
What is the SMILES notation for 4,4-diethyl-1-oxido-3,5-diphenylpyrazol-1-ium?
The canonical SMILES for 4,4-diethyl-1-oxido-3,5-diphenylpyrazol-1-ium is CCC1(CC)C(c2ccccc2)=N[N+]([O-])=C1c1ccccc1.
What is the InChIKey of 4,4-diethyl-1-oxido-3,5-diphenylpyrazol-1-ium?
The InChIKey is SAKRMUWMMHTCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-3-19(4-2)17(15-11-7-5-8-12-15)20-21(22)18(19)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3.
What are the key properties of 4,4-diethyl-1-oxido-3,5-diphenylpyrazol-1-ium?
4,4-diethyl-1-oxido-3,5-diphenylpyrazol-1-ium has a molecular weight of 292.38 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-1-oxido-3,5-diphenylpyrazol-1-ium is sourced from PubChem (CID 12605660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).