4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

C18H20N4O3 — CID 47026934

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1cccn1)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H20N4O3/c1-13(11-21-10-2-9-19-21)20-18(25)15-5-3-14(4-6-15)12-22-16(23)7-8-17(22)24/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,20,25)
InChIKeyJHPHJGKOGDTIDW-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.35
Rot. Bonds6

About 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (PubChem CID 47026934) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
PubChem CID47026934
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1cccn1)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H20N4O3/c1-13(11-21-10-2-9-19-21)20-18(25)15-5-3-14(4-6-15)12-22-16(23)7-8-17(22)24/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,20,25)
InChIKeyJHPHJGKOGDTIDW-UHFFFAOYSA-N
XLogP1.35
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2s,4s)-N-Methyl-4-[[(2s,3r)-3-[(2-Methylpropan-2-Yl)oxy]-2-[[4-(Pyrazol-1-Ylmethyl)phenyl]carbonylamino]butanoyl]amino]-1-(Phenylcarbonyl)pyrrolidine-2-Carboxamide
CID 122391196
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
3-tert-butyl-N-[(2S)-1-(cyanomethylamino)-3-[3-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-1-methylpyrazole-5-carboxamide
CID 45267632
N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 25122009
N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
CID 25122012
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
CID 56658415
N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 56668800
N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-pyrazol-1-ylbenzamide
CID 56675668
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 56682300
N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide
CID 118524377
N-ethyl-2-[1-(4-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
CID 16191808
2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 24791246

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (CID 47026934) is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is CC(Cn1cccn1)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The InChIKey is JHPHJGKOGDTIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13(11-21-10-2-9-19-21)20-18(25)15-5-3-14(4-6-15)12-22-16(23)7-8-17(22)24/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,20,25).
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide has a molecular weight of 340.38 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 47026934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).