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

C23H22F3N5O3 — CID 90657034

IUPAC(4S)-2-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide
SMILESC[C@@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3)nn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C23H22F3N5O3/c1-14(23(24,25)26)34-13-15-6-5-7-16(10-15)19-11-20(29-21(32)18-12-27-22(33)28-18)30-31(19)17-8-3-2-4-9-17/h2-11,14,18H,12-13H2,1H3,(H2,27,28,33)(H,29,30,32)/t14-,18+/m1/s1
InChIKeyFCHRLJLBTYFIRH-KDOFPFPSSA-N
MW473.46 g/mol
LogP3.63
Rot. Bonds7

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

(4S)-2-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide (PubChem CID 90657034) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 g/mol. Its IUPAC name is (4S)-2-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-2-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide
PubChem CID90657034
Molecular FormulaC23H22F3N5O3
Molecular Weight473.46 g/mol
Exact Mass473.17
IUPAC Name(4S)-2-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide
SMILESC[C@@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3)nn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C23H22F3N5O3/c1-14(23(24,25)26)34-13-15-6-5-7-16(10-15)19-11-20(29-21(32)18-12-27-22(33)28-18)30-31(19)17-8-3-2-4-9-17/h2-11,14,18H,12-13H2,1H3,(H2,27,28,33)(H,29,30,32)/t14-,18+/m1/s1
InChIKeyFCHRLJLBTYFIRH-KDOFPFPSSA-N
XLogP3.63
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
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

Analyze (4S)-2-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 (4S)-2-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide?
The IUPAC name of (4S)-2-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide (CID 90657034) is (4S)-2-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-2-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide?
The canonical SMILES for (4S)-2-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide is C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3)nn2-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of (4S)-2-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide?
The InChIKey is FCHRLJLBTYFIRH-KDOFPFPSSA-N. The full InChI is InChI=1S/C23H22F3N5O3/c1-14(23(24,25)26)34-13-15-6-5-7-16(10-15)19-11-20(29-21(32)18-12-27-22(33)28-18)30-31(19)17-8-3-2-4-9-17/h2-11,14,18H,12-13H2,1H3,(H2,27,28,33)(H,29,30,32)/t14-,18+/m1/s1.
What are the key properties of (4S)-2-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide?
(4S)-2-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide has a molecular weight of 473.46 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide is sourced from PubChem (CID 90657034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).