(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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Related Compounds

4-[[4-methyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoic acid
CID 132971291
3-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 56509621
(5R)-5-(4-fluorophenyl)-3-(furan-2-ylmethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 7378893
3-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 86888173
5,5-dicyclopropyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione
CID 71924329
5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione
CID 71914522
1-methyl-4-[(3-phenylazetidin-3-yl)methyl]pyrazole
CID 79451774
3-[[(4R)-2,5-dioxo-4-phenyl-4-(trifluoromethyl)imidazolidin-1-yl]methyl-methylamino]benzonitrile
CID 99717806
2-[4-[[2,5-dioxo-4-phenyl-4-(trifluoromethyl)imidazolidin-1-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 56509490
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione
CID 112808146
7-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155839899
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 71913747

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).