5,5-dimethyl-3-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione

C17H25N5O3 — CID 56779601

IUPAC5,5-dimethyl-3-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCc1nn(C)c(C)c1C1CCCN1C(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C17H25N5O3/c1-10-14(11(2)20(5)19-10)12-7-6-8-21(12)13(23)9-22-15(24)17(3,4)18-16(22)25/h12H,6-9H2,1-5H3,(H,18,25)
InChIKeyWOEHCJMAIYKWKT-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.03
Rot. Bonds3

About 5,5-dimethyl-3-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 56779601) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID56779601
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name5,5-dimethyl-3-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCc1nn(C)c(C)c1C1CCCN1C(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C17H25N5O3/c1-10-14(11(2)20(5)19-10)12-7-6-8-21(12)13(23)9-22-15(24)17(3,4)18-16(22)25/h12H,6-9H2,1-5H3,(H,18,25)
InChIKeyWOEHCJMAIYKWKT-UHFFFAOYSA-N
XLogP1.03
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.03
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-(1,3,5-trimethylpyrazol-4-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 56780695
N-(dicyclopropylmethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 56780711
1-(4-Acetylpiperazin-1-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 72043904
N-(2-acetamidoethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 72043909
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 72140975
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
CID 84595622
2'-Ethyl-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-YL)propanoyl]-hexahydrospiro[piperidine-4,6'-pyrrolo[1,2-C]imidazole]-1',3'-dione
CID 124045272
1-(2-Oxo-2-pyrrolidin-1-ylethyl)-3-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]urea
CID 86782118
(5S)-5-methyl-3-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]imidazolidine-2,4-dione
CID 99776896
(7aS)-2-ethyl-1'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]spiro[7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-6,4'-piperidine]-1,3-dione
CID 164638497
(4,4-Difluoropyrrolidin-2-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 120352275
(4,4-Difluoropyrrolidin-2-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 120352276

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 56779601) is 5,5-dimethyl-3-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is Cc1nn(C)c(C)c1C1CCCN1C(=O)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is WOEHCJMAIYKWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-10-14(11(2)20(5)19-10)12-7-6-8-21(12)13(23)9-22-15(24)17(3,4)18-16(22)25/h12H,6-9H2,1-5H3,(H,18,25).
What are the key properties of 5,5-dimethyl-3-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 347.42 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56779601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).