(5R)-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidine-2,4-dione

C10H11F3N4O2 — CID 118197388

IUPAC(5R)-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidine-2,4-dione
SMILESC[C@@H]1C(=O)N(c2cc(C(F)(F)F)n(C)n2)C(=O)N1C
InChIInChI=1S/C10H11F3N4O2/c1-5-8(18)17(9(19)15(5)2)7-4-6(10(11,12)13)16(3)14-7/h4-5H,1-3H3/t5-/m1/s1
InChIKeySJRXZVWKCQOZDE-RXMQYKEDSA-N
MW276.22 g/mol
LogP1.23
Rot. Bonds1

About (5R)-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidine-2,4-dione

(5R)-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidine-2,4-dione (PubChem CID 118197388) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is (5R)-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidine-2,4-dione
PubChem CID118197388
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name(5R)-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidine-2,4-dione
SMILESC[C@@H]1C(=O)N(c2cc(C(F)(F)F)n(C)n2)C(=O)N1C
InChIInChI=1S/C10H11F3N4O2/c1-5-8(18)17(9(19)15(5)2)7-4-6(10(11,12)13)16(3)14-7/h4-5H,1-3H3/t5-/m1/s1
InChIKeySJRXZVWKCQOZDE-RXMQYKEDSA-N
XLogP1.23
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 51.23
H-Bond Donors ≤ 50
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 (5R)-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidine-2,4-dione (CID 118197388) is (5R)-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidine-2,4-dione is C[C@@H]1C(=O)N(c2cc(C(F)(F)F)n(C)n2)C(=O)N1C.
What is the InChIKey of (5R)-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidine-2,4-dione?
The InChIKey is SJRXZVWKCQOZDE-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c1-5-8(18)17(9(19)15(5)2)7-4-6(10(11,12)13)16(3)14-7/h4-5H,1-3H3/t5-/m1/s1.
What are the key properties of (5R)-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidine-2,4-dione?
(5R)-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidine-2,4-dione has a molecular weight of 276.22 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 118197388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).