2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide

C10H13N5O3 — CID 54897118

IUPAC2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESCN1CC(=O)N(CC(=O)NCc2cn[nH]c2)C1=O
InChIInChI=1S/C10H13N5O3/c1-14-6-9(17)15(10(14)18)5-8(16)11-2-7-3-12-13-4-7/h3-4H,2,5-6H2,1H3,(H,11,16)(H,12,13)
InChIKeyHUMKFMWKHWYXMZ-UHFFFAOYSA-N
MW251.25 g/mol
LogP-1.08
Rot. Bonds4

About 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide

2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide (PubChem CID 54897118) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
PubChem CID54897118
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESCN1CC(=O)N(CC(=O)NCc2cn[nH]c2)C1=O
InChIInChI=1S/C10H13N5O3/c1-14-6-9(17)15(10(14)18)5-8(16)11-2-7-3-12-13-4-7/h3-4H,2,5-6H2,1H3,(H,11,16)(H,12,13)
InChIKeyHUMKFMWKHWYXMZ-UHFFFAOYSA-N
XLogP-1.08
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-1.08
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

N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78963008
9-pentyl-8-(1H-pyrazol-4-yl)-7,8-dihydro-3H-purine-2,6-dione
CID 90753799
1,5,5-trimethyl-3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 123337139
N-(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)-1H-pyrazole-4-carboxamide
CID 160405434
N-(4-amino-1-ethyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1H-pyrazole-4-carboxamide
CID 24827792
N-[6-amino-1-methyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide
CID 24827924
N-(6-amino-1-ethyl-2,4-dioxo-3-propylpyrimidin-5-yl)-1H-pyrazole-4-carboxamide
CID 24828186
N-[6-amino-1-ethyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide
CID 24828321
N-(methylcarbamoyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 33064088
N-(ethylcarbamoyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 39780273
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propylcarbamoyl)acetamide
CID 39780469
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 43430670

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The IUPAC name of 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide (CID 54897118) is 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide is CN1CC(=O)N(CC(=O)NCc2cn[nH]c2)C1=O.
What is the InChIKey of 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The InChIKey is HUMKFMWKHWYXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c1-14-6-9(17)15(10(14)18)5-8(16)11-2-7-3-12-13-4-7/h3-4H,2,5-6H2,1H3,(H,11,16)(H,12,13).
What are the key properties of 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide has a molecular weight of 251.25 g/mol, XLogP of -1.08, 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-(1H-pyrazol-4-ylmethyl)acetamide is sourced from PubChem (CID 54897118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).