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

C15H13F3N4O2 — CID 95307262

IUPAC(5R)-3-[(1-methylpyrazol-4-yl)methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCn1cc(CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)cn1
InChIInChI=1S/C15H13F3N4O2/c1-21-8-10(7-19-21)9-22-12(23)14(15(16,17)18,20-13(22)24)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyBDBRYOPRNASZTQ-CQSZACIVSA-N
MW338.29 g/mol
LogP1.93
Rot. Bonds3

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

(5R)-3-[(1-methylpyrazol-4-yl)methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 95307262) has the molecular formula C15H13F3N4O2 and a molecular weight of 338.29 g/mol. Its IUPAC name is (5R)-3-[(1-methylpyrazol-4-yl)methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(1-methylpyrazol-4-yl)methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID95307262
Molecular FormulaC15H13F3N4O2
Molecular Weight338.29 g/mol
Exact Mass338.10
IUPAC Name(5R)-3-[(1-methylpyrazol-4-yl)methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCn1cc(CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)cn1
InChIInChI=1S/C15H13F3N4O2/c1-21-8-10(7-19-21)9-22-12(23)14(15(16,17)18,20-13(22)24)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyBDBRYOPRNASZTQ-CQSZACIVSA-N
XLogP1.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 51.93
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 (5R)-3-[(1-methylpyrazol-4-yl)methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(1-methylpyrazol-4-yl)methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 95307262) is (5R)-3-[(1-methylpyrazol-4-yl)methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(1-methylpyrazol-4-yl)methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(1-methylpyrazol-4-yl)methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione is Cn1cc(CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)cn1.
What is the InChIKey of (5R)-3-[(1-methylpyrazol-4-yl)methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is BDBRYOPRNASZTQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13F3N4O2/c1-21-8-10(7-19-21)9-22-12(23)14(15(16,17)18,20-13(22)24)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,20,24)/t14-/m1/s1.
What are the key properties of (5R)-3-[(1-methylpyrazol-4-yl)methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
(5R)-3-[(1-methylpyrazol-4-yl)methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 338.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(1-methylpyrazol-4-yl)methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 95307262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).