4-oxo-N'-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-3-propan-2-ylphthalazine-1-carbohydrazide

C25H26N6O4 — CID 27566691

IUPAC4-oxo-N'-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-3-propan-2-ylphthalazine-1-carbohydrazide
SMILESCC(C)n1nc(C(=O)NNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c2ccccc2c1=O
InChIInChI=1S/C25H26N6O4/c1-16(2)31-25(35)19-11-7-6-10-18(19)23(29-31)24(34)27-26-21(32)12-13-22(33)30-15-14-20(28-30)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,26,32)(H,27,34)
InChIKeySOVIWORAPIDHMF-UHFFFAOYSA-N
MW474.52 g/mol
LogP2.16
Rot. Bonds6

About 4-oxo-N'-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-3-propan-2-ylphthalazine-1-carbohydrazide

4-oxo-N'-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-3-propan-2-ylphthalazine-1-carbohydrazide (PubChem CID 27566691) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is 4-oxo-N'-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-3-propan-2-ylphthalazine-1-carbohydrazide.

Molecular Properties

Compound Name4-oxo-N'-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-3-propan-2-ylphthalazine-1-carbohydrazide
PubChem CID27566691
Molecular FormulaC25H26N6O4
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Name4-oxo-N'-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-3-propan-2-ylphthalazine-1-carbohydrazide
SMILESCC(C)n1nc(C(=O)NNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c2ccccc2c1=O
InChIInChI=1S/C25H26N6O4/c1-16(2)31-25(35)19-11-7-6-10-18(19)23(29-31)24(34)27-26-21(32)12-13-22(33)30-15-14-20(28-30)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,26,32)(H,27,34)
InChIKeySOVIWORAPIDHMF-UHFFFAOYSA-N
XLogP2.16
TPSA125.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-cyclopentylpropanoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 26874862
N'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 27566475
N-(5-methylhexan-2-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 134035790
4-oxo-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]-3-propan-2-ylphthalazine-1-carbohydrazide
CID 27566522
N-methyl-4-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]benzenesulfonamide
CID 27566478
N-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]naphthalene-2-carboxamide
CID 55581098
4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide
CID 2598592
4-oxo-3-propan-2-yl-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]phthalazine-1-carbohydrazide
CID 55882502
N'-(1-acetyl-4-phenylpiperidine-4-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 55364237
N'-[3-(1-methyltetrazol-5-yl)sulfanylpropanoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 55913660
N-[1-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 51164409
N-[3-methyl-1-oxo-1-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide
CID 42888349

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N'-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-3-propan-2-ylphthalazine-1-carbohydrazide?
The IUPAC name of 4-oxo-N'-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-3-propan-2-ylphthalazine-1-carbohydrazide (CID 27566691) is 4-oxo-N'-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-3-propan-2-ylphthalazine-1-carbohydrazide.
What is the SMILES notation for 4-oxo-N'-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-3-propan-2-ylphthalazine-1-carbohydrazide?
The canonical SMILES for 4-oxo-N'-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-3-propan-2-ylphthalazine-1-carbohydrazide is CC(C)n1nc(C(=O)NNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-N'-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-3-propan-2-ylphthalazine-1-carbohydrazide?
The InChIKey is SOVIWORAPIDHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-16(2)31-25(35)19-11-7-6-10-18(19)23(29-31)24(34)27-26-21(32)12-13-22(33)30-15-14-20(28-30)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,26,32)(H,27,34).
What are the key properties of 4-oxo-N'-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-3-propan-2-ylphthalazine-1-carbohydrazide?
4-oxo-N'-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-3-propan-2-ylphthalazine-1-carbohydrazide has a molecular weight of 474.52 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N'-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-3-propan-2-ylphthalazine-1-carbohydrazide is sourced from PubChem (CID 27566691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).