1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione

C21H17FN4O3 — CID 52810636

IUPAC1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione
SMILESC[C@H](c1ccccc1)N1C(=O)C(=O)N(Cc2ccn(-c3cccc(F)c3)n2)C1=O
InChIInChI=1S/C21H17FN4O3/c1-14(15-6-3-2-4-7-15)26-20(28)19(27)24(21(26)29)13-17-10-11-25(23-17)18-9-5-8-16(22)12-18/h2-12,14H,13H2,1H3/t14-/m1/s1
InChIKeyGPCNQPVHHNMECA-CQSZACIVSA-N
MW392.39 g/mol
LogP3.06
Rot. Bonds5

About 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione

1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione (PubChem CID 52810636) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione
PubChem CID52810636
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC Name1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione
SMILESC[C@H](c1ccccc1)N1C(=O)C(=O)N(Cc2ccn(-c3cccc(F)c3)n2)C1=O
InChIInChI=1S/C21H17FN4O3/c1-14(15-6-3-2-4-7-15)26-20(28)19(27)24(21(26)29)13-17-10-11-25(23-17)18-9-5-8-16(22)12-18/h2-12,14H,13H2,1H3/t14-/m1/s1
InChIKeyGPCNQPVHHNMECA-CQSZACIVSA-N
XLogP3.06
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione (CID 52810636) is 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione is C[C@H](c1ccccc1)N1C(=O)C(=O)N(Cc2ccn(-c3cccc(F)c3)n2)C1=O.
What is the InChIKey of 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione?
The InChIKey is GPCNQPVHHNMECA-CQSZACIVSA-N. The full InChI is InChI=1S/C21H17FN4O3/c1-14(15-6-3-2-4-7-15)26-20(28)19(27)24(21(26)29)13-17-10-11-25(23-17)18-9-5-8-16(22)12-18/h2-12,14H,13H2,1H3/t14-/m1/s1.
What are the key properties of 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione?
1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione has a molecular weight of 392.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 52810636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).