N'-[3-(2,4-dimethylphenyl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide

C25H30N4O3 — CID 41453316

IUPACN'-[3-(2,4-dimethylphenyl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNC(=O)CCc2ccc(C)cc2C)c2ccccc2c1=O
InChIInChI=1S/C25H30N4O3/c1-4-5-8-15-29-25(32)21-10-7-6-9-20(21)23(28-29)24(31)27-26-22(30)14-13-19-12-11-17(2)16-18(19)3/h6-7,9-12,16H,4-5,8,13-15H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyZMLVPVIUZPDYKZ-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.60
Rot. Bonds8

About N'-[3-(2,4-dimethylphenyl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide

N'-[3-(2,4-dimethylphenyl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide (PubChem CID 41453316) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N'-[3-(2,4-dimethylphenyl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(2,4-dimethylphenyl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
PubChem CID41453316
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN'-[3-(2,4-dimethylphenyl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNC(=O)CCc2ccc(C)cc2C)c2ccccc2c1=O
InChIInChI=1S/C25H30N4O3/c1-4-5-8-15-29-25(32)21-10-7-6-9-20(21)23(28-29)24(31)27-26-22(30)14-13-19-12-11-17(2)16-18(19)3/h6-7,9-12,16H,4-5,8,13-15H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyZMLVPVIUZPDYKZ-UHFFFAOYSA-N
XLogP3.60
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[3-(2,4-dimethylphenyl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide 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

N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
4-oxo-3-pentyl-N'-(3-pyridin-2-ylpropanoyl)phthalazine-1-carbohydrazide
CID 60599880
N'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24586065
N'-[4-(4-chlorophenyl)butanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55788932
1-[(4-methylphenyl)methyl]-3-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]urea
CID 25493215
N'-[3-(4-ethylphenyl)propanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 9428189
N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 27679087
N'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55678680
N'-[3-(2,4-dichlorophenyl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 46577629
N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 7979951
4-oxo-3-pentyl-N'-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide
CID 55428038
N-(2-chloro-4-methylphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 2572654

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,4-dimethylphenyl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide?
The IUPAC name of N'-[3-(2,4-dimethylphenyl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide (CID 41453316) is N'-[3-(2,4-dimethylphenyl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-[3-(2,4-dimethylphenyl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-[3-(2,4-dimethylphenyl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide is CCCCCn1nc(C(=O)NNC(=O)CCc2ccc(C)cc2C)c2ccccc2c1=O.
What is the InChIKey of N'-[3-(2,4-dimethylphenyl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide?
The InChIKey is ZMLVPVIUZPDYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-4-5-8-15-29-25(32)21-10-7-6-9-20(21)23(28-29)24(31)27-26-22(30)14-13-19-12-11-17(2)16-18(19)3/h6-7,9-12,16H,4-5,8,13-15H2,1-3H3,(H,26,30)(H,27,31).
What are the key properties of N'-[3-(2,4-dimethylphenyl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide?
N'-[3-(2,4-dimethylphenyl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide has a molecular weight of 434.54 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2,4-dimethylphenyl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide is sourced from PubChem (CID 41453316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).