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

C10H13F3N4O3 — CID 118197387

IUPAC4-hydroxy-1-methoxy-5-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
SMILESCON1C(=O)N(c2cc(C(F)(F)F)n(C)n2)C(O)C1C
InChIInChI=1S/C10H13F3N4O3/c1-5-8(18)16(9(19)17(5)20-3)7-4-6(10(11,12)13)15(2)14-7/h4-5,8,18H,1-3H3
InChIKeyYPNWAZUHYXSQBL-UHFFFAOYSA-N
MW294.23 g/mol
LogP0.95
Rot. Bonds2

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

4-hydroxy-1-methoxy-5-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one (PubChem CID 118197387) has the molecular formula C10H13F3N4O3 and a molecular weight of 294.23 g/mol. Its IUPAC name is 4-hydroxy-1-methoxy-5-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methoxy-5-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
PubChem CID118197387
Molecular FormulaC10H13F3N4O3
Molecular Weight294.23 g/mol
Exact Mass294.09
IUPAC Name4-hydroxy-1-methoxy-5-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
SMILESCON1C(=O)N(c2cc(C(F)(F)F)n(C)n2)C(O)C1C
InChIInChI=1S/C10H13F3N4O3/c1-5-8(18)16(9(19)17(5)20-3)7-4-6(10(11,12)13)15(2)14-7/h4-5,8,18H,1-3H3
InChIKeyYPNWAZUHYXSQBL-UHFFFAOYSA-N
XLogP0.95
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methoxy-5-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
The IUPAC name of 4-hydroxy-1-methoxy-5-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one (CID 118197387) is 4-hydroxy-1-methoxy-5-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-methoxy-5-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
The canonical SMILES for 4-hydroxy-1-methoxy-5-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one is CON1C(=O)N(c2cc(C(F)(F)F)n(C)n2)C(O)C1C.
What is the InChIKey of 4-hydroxy-1-methoxy-5-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
The InChIKey is YPNWAZUHYXSQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O3/c1-5-8(18)16(9(19)17(5)20-3)7-4-6(10(11,12)13)15(2)14-7/h4-5,8,18H,1-3H3.
What are the key properties of 4-hydroxy-1-methoxy-5-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
4-hydroxy-1-methoxy-5-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one has a molecular weight of 294.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methoxy-5-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one is sourced from PubChem (CID 118197387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).