3-[2-(4-aminopyrazol-1-yl)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione

C11H17N5O2 — CID 55039443

IUPAC3-[2-(4-aminopyrazol-1-yl)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(CCn2cc(N)cn2)C1=O
InChIInChI=1S/C11H17N5O2/c1-3-11(2)9(17)16(10(18)14-11)5-4-15-7-8(12)6-13-15/h6-7H,3-5,12H2,1-2H3,(H,14,18)
InChIKeyOSMCSMYLVVESOS-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.19
Rot. Bonds4

About 3-[2-(4-aminopyrazol-1-yl)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione

3-[2-(4-aminopyrazol-1-yl)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 55039443) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[2-(4-aminopyrazol-1-yl)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-aminopyrazol-1-yl)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID55039443
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name3-[2-(4-aminopyrazol-1-yl)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(CCn2cc(N)cn2)C1=O
InChIInChI=1S/C11H17N5O2/c1-3-11(2)9(17)16(10(18)14-11)5-4-15-7-8(12)6-13-15/h6-7H,3-5,12H2,1-2H3,(H,14,18)
InChIKeyOSMCSMYLVVESOS-UHFFFAOYSA-N
XLogP0.19
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminopyrazol-1-yl)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-aminopyrazol-1-yl)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione (CID 55039443) is 3-[2-(4-aminopyrazol-1-yl)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-aminopyrazol-1-yl)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-aminopyrazol-1-yl)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione is CCC1(C)NC(=O)N(CCn2cc(N)cn2)C1=O.
What is the InChIKey of 3-[2-(4-aminopyrazol-1-yl)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is OSMCSMYLVVESOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-3-11(2)9(17)16(10(18)14-11)5-4-15-7-8(12)6-13-15/h6-7H,3-5,12H2,1-2H3,(H,14,18).
What are the key properties of 3-[2-(4-aminopyrazol-1-yl)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
3-[2-(4-aminopyrazol-1-yl)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 251.29 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminopyrazol-1-yl)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 55039443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).