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

C23H22F3N5O3 — CID 89476821

IUPAC(4R)-2-oxo-N-[1-phenyl-5-[3-(3,3,3-trifluoropropoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide
SMILESO=C1NC[C@H](C(=O)Nc2cc(-c3cccc(COCCC(F)(F)F)c3)n(-c3ccccc3)n2)N1
InChIInChI=1S/C23H22F3N5O3/c24-23(25,26)9-10-34-14-15-5-4-6-16(11-15)19-12-20(29-21(32)18-13-27-22(33)28-18)30-31(19)17-7-2-1-3-8-17/h1-8,11-12,18H,9-10,13-14H2,(H2,27,28,33)(H,29,30,32)/t18-/m1/s1
InChIKeyGXIAIHVWQBFLGJ-GOSISDBHSA-N
MW473.46 g/mol
LogP3.63
Rot. Bonds8

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

(4R)-2-oxo-N-[1-phenyl-5-[3-(3,3,3-trifluoropropoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide (PubChem CID 89476821) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 g/mol. Its IUPAC name is (4R)-2-oxo-N-[1-phenyl-5-[3-(3,3,3-trifluoropropoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-oxo-N-[1-phenyl-5-[3-(3,3,3-trifluoropropoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide
PubChem CID89476821
Molecular FormulaC23H22F3N5O3
Molecular Weight473.46 g/mol
Exact Mass473.17
IUPAC Name(4R)-2-oxo-N-[1-phenyl-5-[3-(3,3,3-trifluoropropoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide
SMILESO=C1NC[C@H](C(=O)Nc2cc(-c3cccc(COCCC(F)(F)F)c3)n(-c3ccccc3)n2)N1
InChIInChI=1S/C23H22F3N5O3/c24-23(25,26)9-10-34-14-15-5-4-6-16(11-15)19-12-20(29-21(32)18-13-27-22(33)28-18)30-31(19)17-7-2-1-3-8-17/h1-8,11-12,18H,9-10,13-14H2,(H2,27,28,33)(H,29,30,32)/t18-/m1/s1
InChIKeyGXIAIHVWQBFLGJ-GOSISDBHSA-N
XLogP3.63
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-(3,3,3-trifluoropropoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide?
The IUPAC name of (4R)-2-oxo-N-[1-phenyl-5-[3-(3,3,3-trifluoropropoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide (CID 89476821) is (4R)-2-oxo-N-[1-phenyl-5-[3-(3,3,3-trifluoropropoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide.
What is the SMILES notation for (4R)-2-oxo-N-[1-phenyl-5-[3-(3,3,3-trifluoropropoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide?
The canonical SMILES for (4R)-2-oxo-N-[1-phenyl-5-[3-(3,3,3-trifluoropropoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide is O=C1NC[C@H](C(=O)Nc2cc(-c3cccc(COCCC(F)(F)F)c3)n(-c3ccccc3)n2)N1.
What is the InChIKey of (4R)-2-oxo-N-[1-phenyl-5-[3-(3,3,3-trifluoropropoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide?
The InChIKey is GXIAIHVWQBFLGJ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H22F3N5O3/c24-23(25,26)9-10-34-14-15-5-4-6-16(11-15)19-12-20(29-21(32)18-13-27-22(33)28-18)30-31(19)17-7-2-1-3-8-17/h1-8,11-12,18H,9-10,13-14H2,(H2,27,28,33)(H,29,30,32)/t18-/m1/s1.
What are the key properties of (4R)-2-oxo-N-[1-phenyl-5-[3-(3,3,3-trifluoropropoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide?
(4R)-2-oxo-N-[1-phenyl-5-[3-(3,3,3-trifluoropropoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide has a molecular weight of 473.46 g/mol, XLogP of 3.63, 8 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-(3,3,3-trifluoropropoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide is sourced from PubChem (CID 89476821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).