5-methyl-5-(1-methylpyrazol-4-yl)-3-(3,3,3-trifluoropropyl)imidazolidine-2,4-dione

C11H13F3N4O2 — CID 154738394

IUPAC5-methyl-5-(1-methylpyrazol-4-yl)-3-(3,3,3-trifluoropropyl)imidazolidine-2,4-dione
SMILESCn1cc(C2(C)NC(=O)N(CCC(F)(F)F)C2=O)cn1
InChIInChI=1S/C11H13F3N4O2/c1-10(7-5-15-17(2)6-7)8(19)18(9(20)16-10)4-3-11(12,13)14/h5-6H,3-4H2,1-2H3,(H,16,20)
InChIKeySSKZGCPKZLLWQG-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.14
Rot. Bonds3

About 5-methyl-5-(1-methylpyrazol-4-yl)-3-(3,3,3-trifluoropropyl)imidazolidine-2,4-dione

5-methyl-5-(1-methylpyrazol-4-yl)-3-(3,3,3-trifluoropropyl)imidazolidine-2,4-dione (PubChem CID 154738394) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is 5-methyl-5-(1-methylpyrazol-4-yl)-3-(3,3,3-trifluoropropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-(1-methylpyrazol-4-yl)-3-(3,3,3-trifluoropropyl)imidazolidine-2,4-dione
PubChem CID154738394
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC Name5-methyl-5-(1-methylpyrazol-4-yl)-3-(3,3,3-trifluoropropyl)imidazolidine-2,4-dione
SMILESCn1cc(C2(C)NC(=O)N(CCC(F)(F)F)C2=O)cn1
InChIInChI=1S/C11H13F3N4O2/c1-10(7-5-15-17(2)6-7)8(19)18(9(20)16-10)4-3-11(12,13)14/h5-6H,3-4H2,1-2H3,(H,16,20)
InChIKeySSKZGCPKZLLWQG-UHFFFAOYSA-N
XLogP1.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(1-methylpyrazol-4-yl)-3-(3,3,3-trifluoropropyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-(1-methylpyrazol-4-yl)-3-(3,3,3-trifluoropropyl)imidazolidine-2,4-dione (CID 154738394) is 5-methyl-5-(1-methylpyrazol-4-yl)-3-(3,3,3-trifluoropropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-(1-methylpyrazol-4-yl)-3-(3,3,3-trifluoropropyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-(1-methylpyrazol-4-yl)-3-(3,3,3-trifluoropropyl)imidazolidine-2,4-dione is Cn1cc(C2(C)NC(=O)N(CCC(F)(F)F)C2=O)cn1.
What is the InChIKey of 5-methyl-5-(1-methylpyrazol-4-yl)-3-(3,3,3-trifluoropropyl)imidazolidine-2,4-dione?
The InChIKey is SSKZGCPKZLLWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c1-10(7-5-15-17(2)6-7)8(19)18(9(20)16-10)4-3-11(12,13)14/h5-6H,3-4H2,1-2H3,(H,16,20).
What are the key properties of 5-methyl-5-(1-methylpyrazol-4-yl)-3-(3,3,3-trifluoropropyl)imidazolidine-2,4-dione?
5-methyl-5-(1-methylpyrazol-4-yl)-3-(3,3,3-trifluoropropyl)imidazolidine-2,4-dione has a molecular weight of 290.25 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(1-methylpyrazol-4-yl)-3-(3,3,3-trifluoropropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 154738394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).