(4R)-N-[5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide

C24H23F4N5O3 — CID 89476906

IUPAC(4R)-N-[5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide
SMILESCC(C)(OCc1cc(F)cc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C24H23F4N5O3/c1-23(2,24(26,27)28)36-13-14-8-15(10-16(25)9-14)19-11-20(31-21(34)18-12-29-22(35)30-18)32-33(19)17-6-4-3-5-7-17/h3-11,18H,12-13H2,1-2H3,(H2,29,30,35)(H,31,32,34)/t18-/m1/s1
InChIKeyQAURPGIKEDPJBA-GOSISDBHSA-N
MW505.47 g/mol
LogP4.16
Rot. Bonds7

About (4R)-N-[5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide

(4R)-N-[5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 89476906) has the molecular formula C24H23F4N5O3 and a molecular weight of 505.47 g/mol. Its IUPAC name is (4R)-N-[5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide
PubChem CID89476906
Molecular FormulaC24H23F4N5O3
Molecular Weight505.47 g/mol
Exact Mass505.17
IUPAC Name(4R)-N-[5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide
SMILESCC(C)(OCc1cc(F)cc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C24H23F4N5O3/c1-23(2,24(26,27)28)36-13-14-8-15(10-16(25)9-14)19-11-20(31-21(34)18-12-29-22(35)30-18)32-33(19)17-6-4-3-5-7-17/h3-11,18H,12-13H2,1-2H3,(H2,29,30,35)(H,31,32,34)/t18-/m1/s1
InChIKeyQAURPGIKEDPJBA-GOSISDBHSA-N
XLogP4.16
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.47
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (4R)-N-[5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide with MolForge

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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)-N-[5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide (CID 89476906) is (4R)-N-[5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide is CC(C)(OCc1cc(F)cc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of (4R)-N-[5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is QAURPGIKEDPJBA-GOSISDBHSA-N. The full InChI is InChI=1S/C24H23F4N5O3/c1-23(2,24(26,27)28)36-13-14-8-15(10-16(25)9-14)19-11-20(31-21(34)18-12-29-22(35)30-18)32-33(19)17-6-4-3-5-7-17/h3-11,18H,12-13H2,1-2H3,(H2,29,30,35)(H,31,32,34)/t18-/m1/s1.
What are the key properties of (4R)-N-[5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?
(4R)-N-[5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 505.47 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 89476906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).