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

C9H11F3N4O3 — CID 118197377

IUPAC4,5-dihydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
SMILESCN1C(=O)N(c2cc(C(F)(F)F)n(C)n2)C(O)C1O
InChIInChI=1S/C9H11F3N4O3/c1-14-6(17)7(18)16(8(14)19)5-3-4(9(10,11)12)15(2)13-5/h3,6-7,17-18H,1-2H3
InChIKeyWBICIGUJYLHTJD-UHFFFAOYSA-N
MW280.21 g/mol
LogP-0.05
Rot. Bonds1

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

4,5-dihydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one (PubChem CID 118197377) has the molecular formula C9H11F3N4O3 and a molecular weight of 280.21 g/mol. Its IUPAC name is 4,5-dihydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4,5-dihydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
PubChem CID118197377
Molecular FormulaC9H11F3N4O3
Molecular Weight280.21 g/mol
Exact Mass280.08
IUPAC Name4,5-dihydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
SMILESCN1C(=O)N(c2cc(C(F)(F)F)n(C)n2)C(O)C1O
InChIInChI=1S/C9H11F3N4O3/c1-14-6(17)7(18)16(8(14)19)5-3-4(9(10,11)12)15(2)13-5/h3,6-7,17-18H,1-2H3
InChIKeyWBICIGUJYLHTJD-UHFFFAOYSA-N
XLogP-0.05
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,5-dihydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
The IUPAC name of 4,5-dihydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one (CID 118197377) is 4,5-dihydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one.
What is the SMILES notation for 4,5-dihydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
The canonical SMILES for 4,5-dihydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one is CN1C(=O)N(c2cc(C(F)(F)F)n(C)n2)C(O)C1O.
What is the InChIKey of 4,5-dihydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
The InChIKey is WBICIGUJYLHTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O3/c1-14-6(17)7(18)16(8(14)19)5-3-4(9(10,11)12)15(2)13-5/h3,6-7,17-18H,1-2H3.
What are the key properties of 4,5-dihydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
4,5-dihydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one has a molecular weight of 280.21 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one is sourced from PubChem (CID 118197377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).