4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide

C19H20N4O3S — CID 27679074

IUPAC4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNC(=O)c2ccsc2)c2ccccc2c1=O
InChIInChI=1S/C19H20N4O3S/c1-2-3-6-10-23-19(26)15-8-5-4-7-14(15)16(22-23)18(25)21-20-17(24)13-9-11-27-12-13/h4-5,7-9,11-12H,2-3,6,10H2,1H3,(H,20,24)(H,21,25)
InChIKeyABGUWKRSIOIAKD-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.72
Rot. Bonds6

About 4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide

4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide (PubChem CID 27679074) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide.

Molecular Properties

Compound Name4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide
PubChem CID27679074
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNC(=O)c2ccsc2)c2ccccc2c1=O
InChIInChI=1S/C19H20N4O3S/c1-2-3-6-10-23-19(26)15-8-5-4-7-14(15)16(22-23)18(25)21-20-17(24)13-9-11-27-12-13/h4-5,7-9,11-12H,2-3,6,10H2,1H3,(H,20,24)(H,21,25)
InChIKeyABGUWKRSIOIAKD-UHFFFAOYSA-N
XLogP2.72
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide
CID 7536105
3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 7995124
3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 2532386
3-butyl-N'-(3-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 2513605
4-oxo-3-pentyl-N'-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide
CID 55428038
N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 26889959
N'-(2-butylsulfanylpropanoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55923112
3-butyl-N'-(1H-indazole-3-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 40672341
3-butyl-4-oxo-N-pentan-3-ylphthalazine-1-carboxamide
CID 2107725
1-[(4-methylphenyl)methyl]-3-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]urea
CID 25493215
N'-(3-methyl-3-phenylbutanoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 60596220

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide?
The IUPAC name of 4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide (CID 27679074) is 4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide.
What is the SMILES notation for 4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide?
The canonical SMILES for 4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide is CCCCCn1nc(C(=O)NNC(=O)c2ccsc2)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide?
The InChIKey is ABGUWKRSIOIAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-2-3-6-10-23-19(26)15-8-5-4-7-14(15)16(22-23)18(25)21-20-17(24)13-9-11-27-12-13/h4-5,7-9,11-12H,2-3,6,10H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide?
4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide has a molecular weight of 384.46 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide is sourced from PubChem (CID 27679074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).