1,5-dimethyl-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]pyrrole-2-carbonitrile

C22H18N4O — CID 9074428

IUPAC1,5-dimethyl-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]pyrrole-2-carbonitrile
SMILESCc1c(/C=N\N=C(/C(=O)c2ccccc2)c2ccccc2)cc(C#N)n1C
InChIInChI=1S/C22H18N4O/c1-16-19(13-20(14-23)26(16)2)15-24-25-21(17-9-5-3-6-10-17)22(27)18-11-7-4-8-12-18/h3-13,15H,1-2H3/b24-15-,25-21-
InChIKeyQPHLDWZTNQKTPQ-KBIDLLOISA-N
MW354.41 g/mol
LogP3.91
Rot. Bonds5

About 1,5-dimethyl-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]pyrrole-2-carbonitrile

1,5-dimethyl-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]pyrrole-2-carbonitrile (PubChem CID 9074428) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 1,5-dimethyl-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1,5-dimethyl-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]pyrrole-2-carbonitrile
PubChem CID9074428
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name1,5-dimethyl-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]pyrrole-2-carbonitrile
SMILESCc1c(/C=N\N=C(/C(=O)c2ccccc2)c2ccccc2)cc(C#N)n1C
InChIInChI=1S/C22H18N4O/c1-16-19(13-20(14-23)26(16)2)15-24-25-21(17-9-5-3-6-10-17)22(27)18-11-7-4-8-12-18/h3-13,15H,1-2H3/b24-15-,25-21-
InChIKeyQPHLDWZTNQKTPQ-KBIDLLOISA-N
XLogP3.91
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,5-dimethyl-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]pyrrole-2-carbonitrile 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-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidenehydrazinylidene]-1,2-diphenylethanone
CID 3249979
4-[(2Z)-2-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylidene]hydrazinyl]benzoic acid
CID 9013325
N-[(E)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 6905938
4-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 8900417
N-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-4-nitrobenzamide
CID 9015012
(2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone
CID 135583243
4-[(Z)-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)iminomethyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 9349588
N-[(E)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42912500
(2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 135775343
4-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 8832718
N-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-2-thiophen-2-ylacetamide
CID 2120713
2-[2-methoxy-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]phenoxy]acetonitrile
CID 6909955

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1,5-dimethyl-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]pyrrole-2-carbonitrile (CID 9074428) is 1,5-dimethyl-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1,5-dimethyl-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1,5-dimethyl-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]pyrrole-2-carbonitrile is Cc1c(/C=N\N=C(/C(=O)c2ccccc2)c2ccccc2)cc(C#N)n1C.
What is the InChIKey of 1,5-dimethyl-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]pyrrole-2-carbonitrile?
The InChIKey is QPHLDWZTNQKTPQ-KBIDLLOISA-N. The full InChI is InChI=1S/C22H18N4O/c1-16-19(13-20(14-23)26(16)2)15-24-25-21(17-9-5-3-6-10-17)22(27)18-11-7-4-8-12-18/h3-13,15H,1-2H3/b24-15-,25-21-.
What are the key properties of 1,5-dimethyl-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]pyrrole-2-carbonitrile?
1,5-dimethyl-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]pyrrole-2-carbonitrile has a molecular weight of 354.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 9074428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).