2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

C13H19N5O3 — CID 61003965

IUPAC2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCCC1(C)NC(=O)N(CC(=O)NCc2cn[nH]c2C)C1=O
InChIInChI=1S/C13H19N5O3/c1-4-13(3)11(20)18(12(21)16-13)7-10(19)14-5-9-6-15-17-8(9)2/h6H,4-5,7H2,1-3H3,(H,14,19)(H,15,17)(H,16,21)
InChIKeySJXNRCXASJONFP-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.05
Rot. Bonds5

About 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide (PubChem CID 61003965) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
PubChem CID61003965
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCCC1(C)NC(=O)N(CC(=O)NCc2cn[nH]c2C)C1=O
InChIInChI=1S/C13H19N5O3/c1-4-13(3)11(20)18(12(21)16-13)7-10(19)14-5-9-6-15-17-8(9)2/h6H,4-5,7H2,1-3H3,(H,14,19)(H,15,17)(H,16,21)
InChIKeySJXNRCXASJONFP-UHFFFAOYSA-N
XLogP0.05
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 43663763
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 56752689
N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide
CID 75425496
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 86808415
N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 86808840
1-(2-methylpropyl)-3-(1H-pyrazol-5-ylmethyl)imidazolidine-2,4-dione
CID 99781571
(8aS)-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 99797410
2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
CID 119069590
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 121535442
2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 79805512
(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 124624513
(2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 124624514

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide (CID 61003965) is 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide is CCC1(C)NC(=O)N(CC(=O)NCc2cn[nH]c2C)C1=O.
What is the InChIKey of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The InChIKey is SJXNRCXASJONFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-4-13(3)11(20)18(12(21)16-13)7-10(19)14-5-9-6-15-17-8(9)2/h6H,4-5,7H2,1-3H3,(H,14,19)(H,15,17)(H,16,21).
What are the key properties of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide has a molecular weight of 293.33 g/mol, XLogP of 0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 61003965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).