(3Z)-5-methyl-3-[(3-phenyl-3,4-dihydropyrazol-5-ylidene)hydrazinylidene]-1H-indol-2-one

C18H15N5O — CID 135856364

IUPAC(3Z)-5-methyl-3-[(3-phenyl-3,4-dihydropyrazol-5-ylidene)hydrazinylidene]-1H-indol-2-one
SMILESCc1ccc2c(c1)/C(=N/N=C1CC(c3ccccc3)N=N1)C(=O)N2
InChIInChI=1S/C18H15N5O/c1-11-7-8-14-13(9-11)17(18(24)19-14)23-22-16-10-15(20-21-16)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,19,23,24)
InChIKeyWJDUQBNYYFFLRM-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.65
Rot. Bonds2

About (3Z)-5-methyl-3-[(3-phenyl-3,4-dihydropyrazol-5-ylidene)hydrazinylidene]-1H-indol-2-one

(3Z)-5-methyl-3-[(3-phenyl-3,4-dihydropyrazol-5-ylidene)hydrazinylidene]-1H-indol-2-one (PubChem CID 135856364) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is (3Z)-5-methyl-3-[(3-phenyl-3,4-dihydropyrazol-5-ylidene)hydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-methyl-3-[(3-phenyl-3,4-dihydropyrazol-5-ylidene)hydrazinylidene]-1H-indol-2-one
PubChem CID135856364
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name(3Z)-5-methyl-3-[(3-phenyl-3,4-dihydropyrazol-5-ylidene)hydrazinylidene]-1H-indol-2-one
SMILESCc1ccc2c(c1)/C(=N/N=C1CC(c3ccccc3)N=N1)C(=O)N2
InChIInChI=1S/C18H15N5O/c1-11-7-8-14-13(9-11)17(18(24)19-14)23-22-16-10-15(20-21-16)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,19,23,24)
InChIKeyWJDUQBNYYFFLRM-UHFFFAOYSA-N
XLogP3.65
TPSA78.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3Z)-5-methyl-3-[(3-phenyl-3,4-dihydropyrazol-5-ylidene)hydrazinylidene]-1H-indol-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
CID 135497959
3-(2,6-diethylphenyl)imino-5-methyl-1H-indol-2-one
CID 135559376
3-(4-tert-butylphenyl)-2-[(5-methyl-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 172741720
3-phenyl-3,4-dihydropyrazol-5-one
CID 22363954
ethane;5-methyl-1H-indole-2,3-dione
CID 167465051
3-(3-chloro-2-methylphenyl)imino-5-methyl-1H-indol-2-one
CID 135559374
(3E)-5-methyl-3-[(N-methylanilino)methylidene]-1H-indol-2-one
CID 113196655
5-methyl-3-[4-(4-methylphenoxy)phenyl]imino-1H-indol-2-one
CID 135559351
7-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 105499107
(5S)-7-methyl-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
CID 766518
3-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
CID 137028519
(2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 177407444

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methyl-3-[(3-phenyl-3,4-dihydropyrazol-5-ylidene)hydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-methyl-3-[(3-phenyl-3,4-dihydropyrazol-5-ylidene)hydrazinylidene]-1H-indol-2-one (CID 135856364) is (3Z)-5-methyl-3-[(3-phenyl-3,4-dihydropyrazol-5-ylidene)hydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-methyl-3-[(3-phenyl-3,4-dihydropyrazol-5-ylidene)hydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-methyl-3-[(3-phenyl-3,4-dihydropyrazol-5-ylidene)hydrazinylidene]-1H-indol-2-one is Cc1ccc2c(c1)/C(=N/N=C1CC(c3ccccc3)N=N1)C(=O)N2.
What is the InChIKey of (3Z)-5-methyl-3-[(3-phenyl-3,4-dihydropyrazol-5-ylidene)hydrazinylidene]-1H-indol-2-one?
The InChIKey is WJDUQBNYYFFLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-11-7-8-14-13(9-11)17(18(24)19-14)23-22-16-10-15(20-21-16)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,19,23,24).
What are the key properties of (3Z)-5-methyl-3-[(3-phenyl-3,4-dihydropyrazol-5-ylidene)hydrazinylidene]-1H-indol-2-one?
(3Z)-5-methyl-3-[(3-phenyl-3,4-dihydropyrazol-5-ylidene)hydrazinylidene]-1H-indol-2-one has a molecular weight of 317.35 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methyl-3-[(3-phenyl-3,4-dihydropyrazol-5-ylidene)hydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 135856364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).