2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide

C14H21N5O3 — CID 56752689

IUPAC2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCc1c(CN(C)C(=O)CN2C(=O)NC(=O)C2(C)C)cnn1C
InChIInChI=1S/C14H21N5O3/c1-9-10(6-15-18(9)5)7-17(4)11(20)8-19-13(22)16-12(21)14(19,2)3/h6H,7-8H2,1-5H3,(H,16,21,22)
InChIKeyZURPNIJAWTXRIE-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.02
Rot. Bonds4

About 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide

2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide (PubChem CID 56752689) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide
PubChem CID56752689
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCc1c(CN(C)C(=O)CN2C(=O)NC(=O)C2(C)C)cnn1C
InChIInChI=1S/C14H21N5O3/c1-9-10(6-15-18(9)5)7-17(4)11(20)8-19-13(22)16-12(21)14(19,2)3/h6H,7-8H2,1-5H3,(H,16,21,22)
InChIKeyZURPNIJAWTXRIE-UHFFFAOYSA-N
XLogP0.02
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 110244221
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide
CID 110253470
5-methyl-5-(1-methyl-1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 71756617
N~2~-[(dimethylamino)carbonyl]-N~1~-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]glycinamide
CID 86285523
(5S)-5-tert-butyl-5-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]imidazolidine-2,4-dione
CID 99839672
(2S)-1-ethyl-2-(2-ethylpyrazol-3-yl)imidazolidin-4-one
CID 129400294
(4S)-1-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-4-carboxamide
CID 164631700
(5S)-3-[2-(1-ethylpyrazol-4-yl)ethyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 164637325
1-[1-(1,3-Dimethylpyrazol-4-yl)ethyl]-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 72136976
3-Methyl-8-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 84590304
(2S)-N,N-dimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylcarbamoylamino]propanamide
CID 86819579
1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 95767115

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide (CID 56752689) is 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide is Cc1c(CN(C)C(=O)CN2C(=O)NC(=O)C2(C)C)cnn1C.
What is the InChIKey of 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide?
The InChIKey is ZURPNIJAWTXRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-9-10(6-15-18(9)5)7-17(4)11(20)8-19-13(22)16-12(21)14(19,2)3/h6H,7-8H2,1-5H3,(H,16,21,22).
What are the key properties of 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide?
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide has a molecular weight of 307.35 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 56752689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).