3-methyl-5-oxido-1,6-diphenylpyrazolo[4,3-c]pyridin-5-ium

C19H15N3O — CID 56594976

IUPAC3-methyl-5-oxido-1,6-diphenylpyrazolo[4,3-c]pyridin-5-ium
SMILESCc1nn(-c2ccccc2)c2cc(-c3ccccc3)[n+]([O-])cc12
InChIInChI=1S/C19H15N3O/c1-14-17-13-21(23)18(15-8-4-2-5-9-15)12-19(17)22(20-14)16-10-6-3-7-11-16/h2-13H,1H3
InChIKeyONXAEUNGXMZHNS-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.63
Rot. Bonds2

About 3-methyl-5-oxido-1,6-diphenylpyrazolo[4,3-c]pyridin-5-ium

3-methyl-5-oxido-1,6-diphenylpyrazolo[4,3-c]pyridin-5-ium (PubChem CID 56594976) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-methyl-5-oxido-1,6-diphenylpyrazolo[4,3-c]pyridin-5-ium.

Molecular Properties

Compound Name3-methyl-5-oxido-1,6-diphenylpyrazolo[4,3-c]pyridin-5-ium
PubChem CID56594976
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name3-methyl-5-oxido-1,6-diphenylpyrazolo[4,3-c]pyridin-5-ium
SMILESCc1nn(-c2ccccc2)c2cc(-c3ccccc3)[n+]([O-])cc12
InChIInChI=1S/C19H15N3O/c1-14-17-13-21(23)18(15-8-4-2-5-9-15)12-19(17)22(20-14)16-10-6-3-7-11-16/h2-13H,1H3
InChIKeyONXAEUNGXMZHNS-UHFFFAOYSA-N
XLogP3.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-methyl-1-phenylindazole
CID 67449853
3-methyl-1-phenylindazol-5-ol
CID 105481865
3-methyl-1,5-diphenylthieno[3,2-d]pyrazole
CID 101454475
3-methyl-1-phenyl-6-thiophen-3-ylpyrazolo[4,3-c]pyridine
CID 56594970
3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine
CID 4671441
3-methyl-5-(methylperoxymethyl)-1-phenylindazole
CID 89261664
2-(4-methylphenyl)-1-oxido-5-phenylpyridin-1-ium
CID 102232410
4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium
CID 176877441
3-methyl-1-phenylpyrazolo[4,5-b]pyridine
CID 76847108
2-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,3,4-oxadiazole
CID 139217553
3-methyl-1-(4-methylphenyl)indazol-6-ol
CID 136801433
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxido-1,6-diphenylpyrazolo[4,3-c]pyridin-5-ium?
The IUPAC name of 3-methyl-5-oxido-1,6-diphenylpyrazolo[4,3-c]pyridin-5-ium (CID 56594976) is 3-methyl-5-oxido-1,6-diphenylpyrazolo[4,3-c]pyridin-5-ium.
What is the SMILES notation for 3-methyl-5-oxido-1,6-diphenylpyrazolo[4,3-c]pyridin-5-ium?
The canonical SMILES for 3-methyl-5-oxido-1,6-diphenylpyrazolo[4,3-c]pyridin-5-ium is Cc1nn(-c2ccccc2)c2cc(-c3ccccc3)[n+]([O-])cc12.
What is the InChIKey of 3-methyl-5-oxido-1,6-diphenylpyrazolo[4,3-c]pyridin-5-ium?
The InChIKey is ONXAEUNGXMZHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-14-17-13-21(23)18(15-8-4-2-5-9-15)12-19(17)22(20-14)16-10-6-3-7-11-16/h2-13H,1H3.
What are the key properties of 3-methyl-5-oxido-1,6-diphenylpyrazolo[4,3-c]pyridin-5-ium?
3-methyl-5-oxido-1,6-diphenylpyrazolo[4,3-c]pyridin-5-ium has a molecular weight of 301.35 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxido-1,6-diphenylpyrazolo[4,3-c]pyridin-5-ium is sourced from PubChem (CID 56594976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).