3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-propan-2-ylpyrazol-4-yl)propanamide

C19H20N6O3 — CID 139000886

IUPAC3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-propan-2-ylpyrazol-4-yl)propanamide
SMILESCC(C)n1cc(NC(=O)CCC2NC(=O)N(c3ccc(C#N)cc3)C2=O)cn1
InChIInChI=1S/C19H20N6O3/c1-12(2)24-11-14(10-21-24)22-17(26)8-7-16-18(27)25(19(28)23-16)15-5-3-13(9-20)4-6-15/h3-6,10-12,16H,7-8H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyBZGFTHMQXYCXRT-UHFFFAOYSA-N
MW380.41 g/mol
LogP2.18
Rot. Bonds6

About 3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-propan-2-ylpyrazol-4-yl)propanamide

3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-propan-2-ylpyrazol-4-yl)propanamide (PubChem CID 139000886) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-propan-2-ylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-propan-2-ylpyrazol-4-yl)propanamide
PubChem CID139000886
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-propan-2-ylpyrazol-4-yl)propanamide
SMILESCC(C)n1cc(NC(=O)CCC2NC(=O)N(c3ccc(C#N)cc3)C2=O)cn1
InChIInChI=1S/C19H20N6O3/c1-12(2)24-11-14(10-21-24)22-17(26)8-7-16-18(27)25(19(28)23-16)15-5-3-13(9-20)4-6-15/h3-6,10-12,16H,7-8H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyBZGFTHMQXYCXRT-UHFFFAOYSA-N
XLogP2.18
TPSA120.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(5-cyclohexyl-1H-pyrazol-3-yl)propanamide
CID 167781439
4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 79192619
4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid
CID 62904061
3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62904261
3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 62903579
4-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)benzonitrile
CID 43558070
2-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 62902855
methyl 2-[3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]propanoylamino]acetate
CID 126418668
3-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 86883901
(2S)-2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-4-methylpentanoic acid
CID 119362153
2-(2-cyanophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 62904626
2-anilino-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 55132216

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-propan-2-ylpyrazol-4-yl)propanamide?
The IUPAC name of 3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-propan-2-ylpyrazol-4-yl)propanamide (CID 139000886) is 3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-propan-2-ylpyrazol-4-yl)propanamide.
What is the SMILES notation for 3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-propan-2-ylpyrazol-4-yl)propanamide?
The canonical SMILES for 3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-propan-2-ylpyrazol-4-yl)propanamide is CC(C)n1cc(NC(=O)CCC2NC(=O)N(c3ccc(C#N)cc3)C2=O)cn1.
What is the InChIKey of 3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-propan-2-ylpyrazol-4-yl)propanamide?
The InChIKey is BZGFTHMQXYCXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-12(2)24-11-14(10-21-24)22-17(26)8-7-16-18(27)25(19(28)23-16)15-5-3-13(9-20)4-6-15/h3-6,10-12,16H,7-8H2,1-2H3,(H,22,26)(H,23,28).
What are the key properties of 3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-propan-2-ylpyrazol-4-yl)propanamide?
3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-propan-2-ylpyrazol-4-yl)propanamide has a molecular weight of 380.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-cyanophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-propan-2-ylpyrazol-4-yl)propanamide is sourced from PubChem (CID 139000886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).