2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C16H24N6O3 — CID 56803060

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCC1(C)NC(=O)N(NC(=O)CN2CC(n3nc(C)cc3C)C2)C1=O
InChIInChI=1S/C16H24N6O3/c1-5-16(4)14(24)22(15(25)17-16)19-13(23)9-20-7-12(8-20)21-11(3)6-10(2)18-21/h6,12H,5,7-9H2,1-4H3,(H,17,25)(H,19,23)
InChIKeyFBKQFKCOCUWHHO-UHFFFAOYSA-N
MW348.41 g/mol
LogP0.11
Rot. Bonds5

About 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 56803060) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID56803060
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCC1(C)NC(=O)N(NC(=O)CN2CC(n3nc(C)cc3C)C2)C1=O
InChIInChI=1S/C16H24N6O3/c1-5-16(4)14(24)22(15(25)17-16)19-13(23)9-20-7-12(8-20)21-11(3)6-10(2)18-21/h6,12H,5,7-9H2,1-4H3,(H,17,25)(H,19,23)
InChIKeyFBKQFKCOCUWHHO-UHFFFAOYSA-N
XLogP0.11
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 56803060) is 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CCC1(C)NC(=O)N(NC(=O)CN2CC(n3nc(C)cc3C)C2)C1=O.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is FBKQFKCOCUWHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-5-16(4)14(24)22(15(25)17-16)19-13(23)9-20-7-12(8-20)21-11(3)6-10(2)18-21/h6,12H,5,7-9H2,1-4H3,(H,17,25)(H,19,23).
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 348.41 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 56803060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).