4-[(2Z)-2-(2,4-dimethyl-6-oxo-2-phenyl-1,3-dioxan-5-ylidene)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one

C23H24N4O4 — CID 123357939

IUPAC4-[(2Z)-2-(2,4-dimethyl-6-oxo-2-phenyl-1,3-dioxan-5-ylidene)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(N/N=C2\C(=O)OC(C)(c3ccccc3)OC2C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H24N4O4/c1-15-19(21(28)27(26(15)4)18-13-9-6-10-14-18)24-25-20-16(2)30-23(3,31-22(20)29)17-11-7-5-8-12-17/h5-14,16,24H,1-4H3/b25-20-
InChIKeyPJOKMRGFNDFASX-QQTULTPQSA-N
MW420.47 g/mol
LogP3.09
Rot. Bonds4

About 4-[(2Z)-2-(2,4-dimethyl-6-oxo-2-phenyl-1,3-dioxan-5-ylidene)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[(2Z)-2-(2,4-dimethyl-6-oxo-2-phenyl-1,3-dioxan-5-ylidene)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 123357939) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 4-[(2Z)-2-(2,4-dimethyl-6-oxo-2-phenyl-1,3-dioxan-5-ylidene)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[(2Z)-2-(2,4-dimethyl-6-oxo-2-phenyl-1,3-dioxan-5-ylidene)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID123357939
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name4-[(2Z)-2-(2,4-dimethyl-6-oxo-2-phenyl-1,3-dioxan-5-ylidene)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(N/N=C2\C(=O)OC(C)(c3ccccc3)OC2C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H24N4O4/c1-15-19(21(28)27(26(15)4)18-13-9-6-10-14-18)24-25-20-16(2)30-23(3,31-22(20)29)17-11-7-5-8-12-17/h5-14,16,24H,1-4H3/b25-20-
InChIKeyPJOKMRGFNDFASX-QQTULTPQSA-N
XLogP3.09
TPSA86.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[(2Z)-2-(2,4-dimethyl-6-oxo-2-phenyl-1,3-dioxan-5-ylidene)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-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 4-[(2Z)-2-(2,4-dimethyl-6-oxo-2-phenyl-1,3-dioxan-5-ylidene)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[(2Z)-2-(2,4-dimethyl-6-oxo-2-phenyl-1,3-dioxan-5-ylidene)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 123357939) is 4-[(2Z)-2-(2,4-dimethyl-6-oxo-2-phenyl-1,3-dioxan-5-ylidene)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[(2Z)-2-(2,4-dimethyl-6-oxo-2-phenyl-1,3-dioxan-5-ylidene)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[(2Z)-2-(2,4-dimethyl-6-oxo-2-phenyl-1,3-dioxan-5-ylidene)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(N/N=C2\C(=O)OC(C)(c3ccccc3)OC2C)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-[(2Z)-2-(2,4-dimethyl-6-oxo-2-phenyl-1,3-dioxan-5-ylidene)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is PJOKMRGFNDFASX-QQTULTPQSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-15-19(21(28)27(26(15)4)18-13-9-6-10-14-18)24-25-20-16(2)30-23(3,31-22(20)29)17-11-7-5-8-12-17/h5-14,16,24H,1-4H3/b25-20-.
What are the key properties of 4-[(2Z)-2-(2,4-dimethyl-6-oxo-2-phenyl-1,3-dioxan-5-ylidene)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[(2Z)-2-(2,4-dimethyl-6-oxo-2-phenyl-1,3-dioxan-5-ylidene)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 420.47 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-(2,4-dimethyl-6-oxo-2-phenyl-1,3-dioxan-5-ylidene)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 123357939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).