(5S)-5-tert-butyl-5-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]imidazolidine-2,4-dione

C14H19F3N4O2 — CID 99839672

IUPAC(5S)-5-tert-butyl-5-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCn1ncc(CN2C(=O)N[C@@](C)(C(C)(C)C)C2=O)c1C(F)(F)F
InChIInChI=1S/C14H19F3N4O2/c1-12(2,3)13(4)10(22)21(11(23)19-13)7-8-6-18-20(5)9(8)14(15,16)17/h6H,7H2,1-5H3,(H,19,23)/t13-/m1/s1
InChIKeyZPUIYQSEUKHVMS-CYBMUJFWSA-N
MW332.33 g/mol
LogP2.30
Rot. Bonds2

About (5S)-5-tert-butyl-5-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]imidazolidine-2,4-dione

(5S)-5-tert-butyl-5-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]imidazolidine-2,4-dione (PubChem CID 99839672) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is (5S)-5-tert-butyl-5-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-tert-butyl-5-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]imidazolidine-2,4-dione
PubChem CID99839672
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name(5S)-5-tert-butyl-5-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCn1ncc(CN2C(=O)N[C@@](C)(C(C)(C)C)C2=O)c1C(F)(F)F
InChIInChI=1S/C14H19F3N4O2/c1-12(2,3)13(4)10(22)21(11(23)19-13)7-8-6-18-20(5)9(8)14(15,16)17/h6H,7H2,1-5H3,(H,19,23)/t13-/m1/s1
InChIKeyZPUIYQSEUKHVMS-CYBMUJFWSA-N
XLogP2.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.30
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 (5S)-5-tert-butyl-5-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-tert-butyl-5-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]imidazolidine-2,4-dione (CID 99839672) is (5S)-5-tert-butyl-5-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-tert-butyl-5-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-tert-butyl-5-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]imidazolidine-2,4-dione is Cn1ncc(CN2C(=O)N[C@@](C)(C(C)(C)C)C2=O)c1C(F)(F)F.
What is the InChIKey of (5S)-5-tert-butyl-5-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is ZPUIYQSEUKHVMS-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-12(2,3)13(4)10(22)21(11(23)19-13)7-8-6-18-20(5)9(8)14(15,16)17/h6H,7H2,1-5H3,(H,19,23)/t13-/m1/s1.
What are the key properties of (5S)-5-tert-butyl-5-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]imidazolidine-2,4-dione?
(5S)-5-tert-butyl-5-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 332.33 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-tert-butyl-5-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 99839672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).