(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2,5-diphenylpyrazol-3-one

C23H16N2O3 — CID 5340951

IUPAC(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2,5-diphenylpyrazol-3-one
SMILESO=C1/C(=C\c2ccc3c(c2)OCO3)C(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C23H16N2O3/c26-23-19(13-16-11-12-20-21(14-16)28-15-27-20)22(17-7-3-1-4-8-17)24-25(23)18-9-5-2-6-10-18/h1-14H,15H2/b19-13-
InChIKeyQUCOKMFQHGPMOI-UYRXBGFRSA-N
MW368.39 g/mol
LogP4.25
Rot. Bonds3

About (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2,5-diphenylpyrazol-3-one

(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2,5-diphenylpyrazol-3-one (PubChem CID 5340951) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2,5-diphenylpyrazol-3-one.

Molecular Properties

Compound Name(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2,5-diphenylpyrazol-3-one
PubChem CID5340951
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC Name(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2,5-diphenylpyrazol-3-one
SMILESO=C1/C(=C\c2ccc3c(c2)OCO3)C(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C23H16N2O3/c26-23-19(13-16-11-12-20-21(14-16)28-15-27-20)22(17-7-3-1-4-8-17)24-25(23)18-9-5-2-6-10-18/h1-14H,15H2/b19-13-
InChIKeyQUCOKMFQHGPMOI-UYRXBGFRSA-N
XLogP4.25
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2,5-diphenylpyrazol-3-one 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 (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2,5-diphenylpyrazol-3-one?
The IUPAC name of (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2,5-diphenylpyrazol-3-one (CID 5340951) is (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2,5-diphenylpyrazol-3-one.
What is the SMILES notation for (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2,5-diphenylpyrazol-3-one?
The canonical SMILES for (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2,5-diphenylpyrazol-3-one is O=C1/C(=C\c2ccc3c(c2)OCO3)C(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2,5-diphenylpyrazol-3-one?
The InChIKey is QUCOKMFQHGPMOI-UYRXBGFRSA-N. The full InChI is InChI=1S/C23H16N2O3/c26-23-19(13-16-11-12-20-21(14-16)28-15-27-20)22(17-7-3-1-4-8-17)24-25(23)18-9-5-2-6-10-18/h1-14H,15H2/b19-13-.
What are the key properties of (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2,5-diphenylpyrazol-3-one?
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2,5-diphenylpyrazol-3-one has a molecular weight of 368.39 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2,5-diphenylpyrazol-3-one is sourced from PubChem (CID 5340951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).