(4R)-2-oxo-N-[1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide

C22H20F3N5O3 — CID 89476820

IUPAC(4R)-2-oxo-N-[1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide
SMILESO=C1NC[C@H](C(=O)Nc2cc(-c3cccc(COCC(F)(F)F)c3)n(-c3ccccc3)n2)N1
InChIInChI=1S/C22H20F3N5O3/c23-22(24,25)13-33-12-14-5-4-6-15(9-14)18-10-19(28-20(31)17-11-26-21(32)27-17)29-30(18)16-7-2-1-3-8-16/h1-10,17H,11-13H2,(H2,26,27,32)(H,28,29,31)/t17-/m1/s1
InChIKeyLBTFELJXHTYRKI-QGZVFWFLSA-N
MW459.43 g/mol
LogP3.24
Rot. Bonds7

About (4R)-2-oxo-N-[1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide

(4R)-2-oxo-N-[1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide (PubChem CID 89476820) has the molecular formula C22H20F3N5O3 and a molecular weight of 459.43 g/mol. Its IUPAC name is (4R)-2-oxo-N-[1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-oxo-N-[1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide
PubChem CID89476820
Molecular FormulaC22H20F3N5O3
Molecular Weight459.43 g/mol
Exact Mass459.15
IUPAC Name(4R)-2-oxo-N-[1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide
SMILESO=C1NC[C@H](C(=O)Nc2cc(-c3cccc(COCC(F)(F)F)c3)n(-c3ccccc3)n2)N1
InChIInChI=1S/C22H20F3N5O3/c23-22(24,25)13-33-12-14-5-4-6-15(9-14)18-10-19(28-20(31)17-11-26-21(32)27-17)29-30(18)16-7-2-1-3-8-16/h1-10,17H,11-13H2,(H2,26,27,32)(H,28,29,31)/t17-/m1/s1
InChIKeyLBTFELJXHTYRKI-QGZVFWFLSA-N
XLogP3.24
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.43
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 1-(3-(((S)-2-aminopropanamido)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-ylcarbamate
CID 44578542
(S)-5-Oxopyrrolidine-3-carboxylic acid{1-(4-chlorophenyl)-5-[3-fluoro-5-((R)-2,2,2-trifluoro-1-methylethoxymethyl)phenyl]-1H-pyrazol-3-yl}amide
CID 71287720
(S)-5-Oxopyrrolidine-3-carboxylic acid {1-(4-chlorophenyl)-5-[3-((R)-2,2,2-trifluoro-1-methylethoxymethyl)phenyl]-1H-pyrazol-3-yl}amide
CID 71287721
(S)-5-Oxopyrrolidine-3-carboxylic acid{1-(2-fluorophenyl)-5-[3-fluoro-5-((R)-2,2,2-trifluoro-1-methylethoxymethyl)phenyl]-1H-pyrazol-3-yl}amide
CID 71287722
(3S)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 71287723
(S)-5-Oxopyrrolidine-3-carboxylic acid{1-(4-fluorophenyl)-5-[3-fluoro-5-((R)-2,2,2-trifluoro-1-methylethoxymethyl)phenyl]-1H-pyrazol-3-yl}amide
CID 71287724
(R)-2-Oxoimidazolidine-4-carboxylic acid{1-(4-fluorophenyl)-5-[3-fluoro-5-((R)-2,2,2-trifluoro-1-methylethoxymethyl)phenyl]-1H-pyrazol-3-yl}amide
CID 71287732
(S)-5-Oxopyrrolidine-3-carboxylic acid {1-(4-fluorophenyl)-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]-1H-pyrazol-3-yl}amide
CID 71287780
(R)-2-Oxoimidazolidine-4-carboxylic acid[5-(3-butylphenyl)-1-phenyl-1H-pyrazol-3-yl]amide
CID 71287781
(R)-2-Oxoimidazolidine-4-carboxylic acid[1-phenyl-5-(3-propyl-phenyl)-1H-pyrazol-3-yl]amide
CID 71287882
(S)-5-Oxopyrrolidine-3-carboxylic acid{5-[3-fluoro-5-((R)-2,2,2-trifluoro-1-methylethoxymethyl)phenyl]-1-phenyl-1H-pyrazol-3-yl}amide
CID 71287884
(S)-5-Oxopyrrolidine-3-carboxylic acid {1-phenyl-5-[3-(2,2,2-trifluoro-1-trifluoromethylethoxymethyl)phenyl]-1H-pyrazol-3-yl}amide
CID 71510401

Frequently Asked Questions

What is the IUPAC name of (4R)-2-oxo-N-[1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide?
The IUPAC name of (4R)-2-oxo-N-[1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide (CID 89476820) is (4R)-2-oxo-N-[1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide.
What is the SMILES notation for (4R)-2-oxo-N-[1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide?
The canonical SMILES for (4R)-2-oxo-N-[1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide is O=C1NC[C@H](C(=O)Nc2cc(-c3cccc(COCC(F)(F)F)c3)n(-c3ccccc3)n2)N1.
What is the InChIKey of (4R)-2-oxo-N-[1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide?
The InChIKey is LBTFELJXHTYRKI-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H20F3N5O3/c23-22(24,25)13-33-12-14-5-4-6-15(9-14)18-10-19(28-20(31)17-11-26-21(32)27-17)29-30(18)16-7-2-1-3-8-16/h1-10,17H,11-13H2,(H2,26,27,32)(H,28,29,31)/t17-/m1/s1.
What are the key properties of (4R)-2-oxo-N-[1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide?
(4R)-2-oxo-N-[1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide has a molecular weight of 459.43 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-oxo-N-[1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide is sourced from PubChem (CID 89476820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).