N'-(3-cyclopentylpropanoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide

C23H24N4O3 — CID 9219996

IUPACN'-(3-cyclopentylpropanoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide
SMILESO=C(CCC1CCCC1)NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C23H24N4O3/c28-20(15-14-16-8-4-5-9-16)24-25-22(29)21-18-12-6-7-13-19(18)23(30)27(26-21)17-10-2-1-3-11-17/h1-3,6-7,10-13,16H,4-5,8-9,14-15H2,(H,24,28)(H,25,29)
InChIKeyUZROTDSEOXLMPC-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.12
Rot. Bonds5

About N'-(3-cyclopentylpropanoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide

N'-(3-cyclopentylpropanoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide (PubChem CID 9219996) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N'-(3-cyclopentylpropanoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(3-cyclopentylpropanoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide
PubChem CID9219996
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN'-(3-cyclopentylpropanoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide
SMILESO=C(CCC1CCCC1)NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C23H24N4O3/c28-20(15-14-16-8-4-5-9-16)24-25-22(29)21-18-12-6-7-13-19(18)23(30)27(26-21)17-10-2-1-3-11-17/h1-3,6-7,10-13,16H,4-5,8-9,14-15H2,(H,24,28)(H,25,29)
InChIKeyUZROTDSEOXLMPC-UHFFFAOYSA-N
XLogP3.12
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 7979954
N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2107436
[2-(cyclohexylmethylamino)-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 2588400
4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
CID 9264776
N-[(2R)-oxan-2-yl]oxy-4-oxo-3-phenylphthalazine-1-carboxamide
CID 52536335
N'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 2483637
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 41232811
4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one
CID 24503340
N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9163904
N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9472874
3-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide
CID 24645871

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyclopentylpropanoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide?
The IUPAC name of N'-(3-cyclopentylpropanoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide (CID 9219996) is N'-(3-cyclopentylpropanoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(3-cyclopentylpropanoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-(3-cyclopentylpropanoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide is O=C(CCC1CCCC1)NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N'-(3-cyclopentylpropanoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide?
The InChIKey is UZROTDSEOXLMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-20(15-14-16-8-4-5-9-16)24-25-22(29)21-18-12-6-7-13-19(18)23(30)27(26-21)17-10-2-1-3-11-17/h1-3,6-7,10-13,16H,4-5,8-9,14-15H2,(H,24,28)(H,25,29).
What are the key properties of N'-(3-cyclopentylpropanoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide?
N'-(3-cyclopentylpropanoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide has a molecular weight of 404.47 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyclopentylpropanoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide is sourced from PubChem (CID 9219996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).