(4Z)-4-benzylidene-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium

C24H19N2+ — CID 5469867

IUPAC(4Z)-4-benzylidene-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium
SMILESC[n+]1c(-c2ccccc2)cc2/c(=C\c3ccccc3)c3ccccc3n21
InChIInChI=1S/C24H19N2/c1-25-23(19-12-6-3-7-13-19)17-24-21(16-18-10-4-2-5-11-18)20-14-8-9-15-22(20)26(24)25/h2-17H,1H3/q+1/b21-16-
InChIKeyPEODWEZQVBCRQA-PGMHBOJBSA-N
MW335.43 g/mol
LogP4.13
Rot. Bonds2

About (4Z)-4-benzylidene-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium

(4Z)-4-benzylidene-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium (PubChem CID 5469867) has the molecular formula C24H19N2+ and a molecular weight of 335.43 g/mol. Its IUPAC name is (4Z)-4-benzylidene-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium.

Molecular Properties

Compound Name(4Z)-4-benzylidene-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium
PubChem CID5469867
Molecular FormulaC24H19N2+
Molecular Weight335.43 g/mol
Exact Mass335.15
IUPAC Name(4Z)-4-benzylidene-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium
SMILESC[n+]1c(-c2ccccc2)cc2/c(=C\c3ccccc3)c3ccccc3n21
InChIInChI=1S/C24H19N2/c1-25-23(19-12-6-3-7-13-19)17-24-21(16-18-10-4-2-5-11-18)20-14-8-9-15-22(20)26(24)25/h2-17H,1H3/q+1/b21-16-
InChIKeyPEODWEZQVBCRQA-PGMHBOJBSA-N
XLogP4.13
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-6-ol;trifluoromethanesulfonate
CID 53298604
9,10-dibenzylidenephenanthrene
CID 135051601
4-[(Z)-[2-(1-adamantyl)-1-methylpyrazolo[1,5-a]indol-1-ium-4-ylidene]methyl]-N,N-dimethylaniline;trifluoromethanesulfonate
CID 5470315
N,N-dimethyl-4-[(Z)-(6-methyl-7,8,9,10-tetrahydroindolo[1,2-b]indazol-6-ium-11-ylidene)methyl]aniline
CID 5472654
1,9-dimethyl-2-phenylpyrido[2,3-b]indol-1-ium
CID 170272131
carbanide;1-methyl-2,4,6-triphenylpyridin-1-ium
CID 160651520
3-(3,4-dimethylphenyl)-1,2-dimethyl-5-phenylpyrazol-2-ium
CID 154242726
(3Z)-1-ethyl-2-methylidene-3-[(4-methylphenyl)methylidene]indole
CID 88576648
3-ethyl-2-[(1-methyl-2,6-diphenylpyridin-1-ium-4-yl)methylidene]-1,3-benzothiazole
CID 75984175
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
1,2-dimethylindazol-2-ium-3-carboxylic acid tetrafluoroborate
CID 11737503
3-methyl-5-oxido-1,6-diphenylpyrazolo[4,3-c]pyridin-5-ium
CID 56594976

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium?
The IUPAC name of (4Z)-4-benzylidene-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium (CID 5469867) is (4Z)-4-benzylidene-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium.
What is the SMILES notation for (4Z)-4-benzylidene-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium?
The canonical SMILES for (4Z)-4-benzylidene-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium is C[n+]1c(-c2ccccc2)cc2/c(=C\c3ccccc3)c3ccccc3n21.
What is the InChIKey of (4Z)-4-benzylidene-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium?
The InChIKey is PEODWEZQVBCRQA-PGMHBOJBSA-N. The full InChI is InChI=1S/C24H19N2/c1-25-23(19-12-6-3-7-13-19)17-24-21(16-18-10-4-2-5-11-18)20-14-8-9-15-22(20)26(24)25/h2-17H,1H3/q+1/b21-16-.
What are the key properties of (4Z)-4-benzylidene-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium?
(4Z)-4-benzylidene-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium has a molecular weight of 335.43 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-benzylidene-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium is sourced from PubChem (CID 5469867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).