N'-(3-cyclopentylpropanoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide

C20H26N4O3 — CID 26874862

IUPACN'-(3-cyclopentylpropanoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
SMILESCC(C)n1nc(C(=O)NNC(=O)CCC2CCCC2)c2ccccc2c1=O
InChIInChI=1S/C20H26N4O3/c1-13(2)24-20(27)16-10-6-5-9-15(16)18(23-24)19(26)22-21-17(25)12-11-14-7-3-4-8-14/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyOLXZVNHNIOVKSB-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.71
Rot. Bonds5

About N'-(3-cyclopentylpropanoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide

N'-(3-cyclopentylpropanoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide (PubChem CID 26874862) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N'-(3-cyclopentylpropanoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(3-cyclopentylpropanoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
PubChem CID26874862
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN'-(3-cyclopentylpropanoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
SMILESCC(C)n1nc(C(=O)NNC(=O)CCC2CCCC2)c2ccccc2c1=O
InChIInChI=1S/C20H26N4O3/c1-13(2)24-20(27)16-10-6-5-9-15(16)18(23-24)19(26)22-21-17(25)12-11-14-7-3-4-8-14/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyOLXZVNHNIOVKSB-UHFFFAOYSA-N
XLogP2.71
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.71
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-phenylphthalazine-1-carbohydrazide
CID 9219996
N'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 7979954
N'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 27566475
N-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]naphthalene-2-carboxamide
CID 55581098
4-oxo-N'-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-3-propan-2-ylphthalazine-1-carbohydrazide
CID 27566691
N'-[3-(1-methyltetrazol-5-yl)sulfanylpropanoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 55913660
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
4-oxo-3-propan-2-yl-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]phthalazine-1-carbohydrazide
CID 55882502
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55517726
N'-(2,3-dimethylbenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 55341302
N'-[4-(methylsulfanylmethyl)benzoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 35767608

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyclopentylpropanoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
The IUPAC name of N'-(3-cyclopentylpropanoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide (CID 26874862) is N'-(3-cyclopentylpropanoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(3-cyclopentylpropanoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-(3-cyclopentylpropanoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide is CC(C)n1nc(C(=O)NNC(=O)CCC2CCCC2)c2ccccc2c1=O.
What is the InChIKey of N'-(3-cyclopentylpropanoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
The InChIKey is OLXZVNHNIOVKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13(2)24-20(27)16-10-6-5-9-15(16)18(23-24)19(26)22-21-17(25)12-11-14-7-3-4-8-14/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N'-(3-cyclopentylpropanoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
N'-(3-cyclopentylpropanoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide has a molecular weight of 370.45 g/mol, XLogP of 2.71, 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-propan-2-ylphthalazine-1-carbohydrazide is sourced from PubChem (CID 26874862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).