5,5-diethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione

C14H22N4O2 — CID 64801529

IUPAC5,5-diethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCCC1(CC)C(=O)NC(=O)N1Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H22N4O2/c1-5-14(6-2)12(19)15-13(20)17(14)9-11-7-8-18(16-11)10(3)4/h7-8,10H,5-6,9H2,1-4H3,(H,15,19,20)
InChIKeyWMRQADLGTSQXTA-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.07
Rot. Bonds5

About 5,5-diethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione

5,5-diethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione (PubChem CID 64801529) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5,5-diethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
PubChem CID64801529
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5,5-diethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCCC1(CC)C(=O)NC(=O)N1Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H22N4O2/c1-5-14(6-2)12(19)15-13(20)17(14)9-11-7-8-18(16-11)10(3)4/h7-8,10H,5-6,9H2,1-4H3,(H,15,19,20)
InChIKeyWMRQADLGTSQXTA-UHFFFAOYSA-N
XLogP2.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-5-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
CID 64778325
1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622158
2-[(1-propan-2-ylpyrazol-3-yl)methyl]isoindole-1,3-dione
CID 91969599
1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 64873058
1-[(3,4-difluorophenyl)methyl]-5,5-diethylimidazolidine-2,4-dione
CID 82923931
1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64771238
5-amino-1-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
CID 64772899
3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine-2,6-dione
CID 66074316
5-bromo-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 66310631
5,5-diethyl-1-[(5-methyl-3-pyridinyl)methyl]imidazolidine-2,4-dione
CID 102879290
N'-hydroxy-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide
CID 107017971
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64879792

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione (CID 64801529) is 5,5-diethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione is CCC1(CC)C(=O)NC(=O)N1Cc1ccn(C(C)C)n1.
What is the InChIKey of 5,5-diethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is WMRQADLGTSQXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-5-14(6-2)12(19)15-13(20)17(14)9-11-7-8-18(16-11)10(3)4/h7-8,10H,5-6,9H2,1-4H3,(H,15,19,20).
What are the key properties of 5,5-diethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione?
5,5-diethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 278.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 64801529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).