5-ethoxy-4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one

C11H15F3N4O3 — CID 118197357

IUPAC5-ethoxy-4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
SMILESCCOC1C(O)N(c2cc(C(F)(F)F)n(C)n2)C(=O)N1C
InChIInChI=1S/C11H15F3N4O3/c1-4-21-9-8(19)18(10(20)16(9)2)7-5-6(11(12,13)14)17(3)15-7/h5,8-9,19H,4H2,1-3H3
InChIKeyDIIDWJKIBINZMP-UHFFFAOYSA-N
MW308.26 g/mol
LogP0.99
Rot. Bonds3

About 5-ethoxy-4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one

5-ethoxy-4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one (PubChem CID 118197357) has the molecular formula C11H15F3N4O3 and a molecular weight of 308.26 g/mol. Its IUPAC name is 5-ethoxy-4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name5-ethoxy-4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
PubChem CID118197357
Molecular FormulaC11H15F3N4O3
Molecular Weight308.26 g/mol
Exact Mass308.11
IUPAC Name5-ethoxy-4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
SMILESCCOC1C(O)N(c2cc(C(F)(F)F)n(C)n2)C(=O)N1C
InChIInChI=1S/C11H15F3N4O3/c1-4-21-9-8(19)18(10(20)16(9)2)7-5-6(11(12,13)14)17(3)15-7/h5,8-9,19H,4H2,1-3H3
InChIKeyDIIDWJKIBINZMP-UHFFFAOYSA-N
XLogP0.99
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
The IUPAC name of 5-ethoxy-4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one (CID 118197357) is 5-ethoxy-4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one.
What is the SMILES notation for 5-ethoxy-4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
The canonical SMILES for 5-ethoxy-4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one is CCOC1C(O)N(c2cc(C(F)(F)F)n(C)n2)C(=O)N1C.
What is the InChIKey of 5-ethoxy-4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
The InChIKey is DIIDWJKIBINZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O3/c1-4-21-9-8(19)18(10(20)16(9)2)7-5-6(11(12,13)14)17(3)15-7/h5,8-9,19H,4H2,1-3H3.
What are the key properties of 5-ethoxy-4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
5-ethoxy-4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one has a molecular weight of 308.26 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one is sourced from PubChem (CID 118197357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).