(3Z)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]naphthalene-1,2,4-trione

C21H16N4O4 — CID 170984171

IUPAC(3Z)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]naphthalene-1,2,4-trione
SMILESCc1c(N/N=c2\c(=O)c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H16N4O4/c1-12-16(21(29)25(24(12)2)13-8-4-3-5-9-13)22-23-17-18(26)14-10-6-7-11-15(14)19(27)20(17)28/h3-11,22H,1-2H3/b23-17-
InChIKeyFSEFNSCBYPESQN-QJOMJCCJSA-N
MW388.38 g/mol
LogP0.52
Rot. Bonds3

About (3Z)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]naphthalene-1,2,4-trione

(3Z)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]naphthalene-1,2,4-trione (PubChem CID 170984171) has the molecular formula C21H16N4O4 and a molecular weight of 388.38 g/mol. Its IUPAC name is (3Z)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]naphthalene-1,2,4-trione.

Molecular Properties

Compound Name(3Z)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]naphthalene-1,2,4-trione
PubChem CID170984171
Molecular FormulaC21H16N4O4
Molecular Weight388.38 g/mol
Exact Mass388.12
IUPAC Name(3Z)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]naphthalene-1,2,4-trione
SMILESCc1c(N/N=c2\c(=O)c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H16N4O4/c1-12-16(21(29)25(24(12)2)13-8-4-3-5-9-13)22-23-17-18(26)14-10-6-7-11-15(14)19(27)20(17)28/h3-11,22H,1-2H3/b23-17-
InChIKeyFSEFNSCBYPESQN-QJOMJCCJSA-N
XLogP0.52
TPSA102.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3Z)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]naphthalene-1,2,4-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]naphthalene-1,2,4-trione?
The IUPAC name of (3Z)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]naphthalene-1,2,4-trione (CID 170984171) is (3Z)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]naphthalene-1,2,4-trione.
What is the SMILES notation for (3Z)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]naphthalene-1,2,4-trione?
The canonical SMILES for (3Z)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]naphthalene-1,2,4-trione is Cc1c(N/N=c2\c(=O)c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of (3Z)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]naphthalene-1,2,4-trione?
The InChIKey is FSEFNSCBYPESQN-QJOMJCCJSA-N. The full InChI is InChI=1S/C21H16N4O4/c1-12-16(21(29)25(24(12)2)13-8-4-3-5-9-13)22-23-17-18(26)14-10-6-7-11-15(14)19(27)20(17)28/h3-11,22H,1-2H3/b23-17-.
What are the key properties of (3Z)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]naphthalene-1,2,4-trione?
(3Z)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]naphthalene-1,2,4-trione has a molecular weight of 388.38 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]naphthalene-1,2,4-trione is sourced from PubChem (CID 170984171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).