2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide

C12H17N5O3 — CID 115593436

IUPAC2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
SMILESCC(C)c1cc(NC(=O)CN2C(=O)CN(C)C2=O)n[nH]1
InChIInChI=1S/C12H17N5O3/c1-7(2)8-4-9(15-14-8)13-10(18)5-17-11(19)6-16(3)12(17)20/h4,7H,5-6H2,1-3H3,(H2,13,14,15,18)
InChIKeyDKALYOYMSKEIOP-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.37
Rot. Bonds4

About 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide

2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide (PubChem CID 115593436) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
PubChem CID115593436
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
SMILESCC(C)c1cc(NC(=O)CN2C(=O)CN(C)C2=O)n[nH]1
InChIInChI=1S/C12H17N5O3/c1-7(2)8-4-9(15-14-8)13-10(18)5-17-11(19)6-16(3)12(17)20/h4,7H,5-6H2,1-3H3,(H2,13,14,15,18)
InChIKeyDKALYOYMSKEIOP-UHFFFAOYSA-N
XLogP0.37
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 104618436
2-cyclobutyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 103710671
5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104617733
4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 113245549
6-oxo-6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]hexanoic acid
CID 104617331
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104618403
2-(3-hydroxyphenyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 112688408
2-(4-nitropyrazol-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 115592981
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 115976344
N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 115663305
4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104618390
N-(4-hydroxypentyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 107299809

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide (CID 115593436) is 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide is CC(C)c1cc(NC(=O)CN2C(=O)CN(C)C2=O)n[nH]1.
What is the InChIKey of 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The InChIKey is DKALYOYMSKEIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-7(2)8-4-9(15-14-8)13-10(18)5-17-11(19)6-16(3)12(17)20/h4,7H,5-6H2,1-3H3,(H2,13,14,15,18).
What are the key properties of 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide has a molecular weight of 279.30 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 115593436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).