N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide

C20H25FN6O3 — CID 73339901

IUPACN-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
SMILESCCCC1CC(=O)NC(n2nc(C)cc2NC(=O)C(=O)NCc2ccc(F)cc2)N1
InChIInChI=1S/C20H25FN6O3/c1-3-4-15-10-17(28)25-20(23-15)27-16(9-12(2)26-27)24-19(30)18(29)22-11-13-5-7-14(21)8-6-13/h5-9,15,20,23H,3-4,10-11H2,1-2H3,(H,22,29)(H,24,30)(H,25,28)
InChIKeyAKLDJQCHCHZDKT-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.32
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide

N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide (PubChem CID 73339901) has the molecular formula C20H25FN6O3 and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
PubChem CID73339901
Molecular FormulaC20H25FN6O3
Molecular Weight416.46 g/mol
Exact Mass416.20
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
SMILESCCCC1CC(=O)NC(n2nc(C)cc2NC(=O)C(=O)NCc2ccc(F)cc2)N1
InChIInChI=1S/C20H25FN6O3/c1-3-4-15-10-17(28)25-20(23-15)27-16(9-12(2)26-27)24-19(30)18(29)22-11-13-5-7-14(21)8-6-13/h5-9,15,20,23H,3-4,10-11H2,1-2H3,(H,22,29)(H,24,30)(H,25,28)
InChIKeyAKLDJQCHCHZDKT-UHFFFAOYSA-N
XLogP1.32
TPSA117.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-fluorophenyl)methyl]oxamide
CID 73339871
N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 73339872
3-fluoro-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 78714649
N-[2-(1H-indol-3-yl)ethyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
CID 73339912
N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]adamantane-1-carboxamide
CID 78714584
2-(2-methyl-1H-indol-3-yl)-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]-2-oxoacetamide
CID 78714822
N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide
CID 172652755
N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
CID 73339846
2-ethoxy-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 74711438
2,5-dichloro-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 78714284
1-(3,4-dichlorophenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
CID 74924627
1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
CID 74924632

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide (CID 73339901) is N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide is CCCC1CC(=O)NC(n2nc(C)cc2NC(=O)C(=O)NCc2ccc(F)cc2)N1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide?
The InChIKey is AKLDJQCHCHZDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O3/c1-3-4-15-10-17(28)25-20(23-15)27-16(9-12(2)26-27)24-19(30)18(29)22-11-13-5-7-14(21)8-6-13/h5-9,15,20,23H,3-4,10-11H2,1-2H3,(H,22,29)(H,24,30)(H,25,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide?
N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide has a molecular weight of 416.46 g/mol, XLogP of 1.32, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide is sourced from PubChem (CID 73339901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).