(4S)-N-[5-[3-(2-methoxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide

C23H25N5O3 — CID 89476574

IUPAC(4S)-N-[5-[3-(2-methoxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide
SMILESCOC(C)(C)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3)nn2-c2ccccc2)c1
InChIInChI=1S/C23H25N5O3/c1-23(2,31-3)16-9-7-8-15(12-16)19-13-20(26-21(29)18-14-24-22(30)25-18)27-28(19)17-10-5-4-6-11-17/h4-13,18H,14H2,1-3H3,(H2,24,25,30)(H,26,27,29)/t18-/m0/s1
InChIKeyIHBHXUPKHDPEJD-SFHVURJKSA-N
MW419.49 g/mol
LogP3.04
Rot. Bonds6

About (4S)-N-[5-[3-(2-methoxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[5-[3-(2-methoxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 89476574) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is (4S)-N-[5-[3-(2-methoxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[5-[3-(2-methoxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide
PubChem CID89476574
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name(4S)-N-[5-[3-(2-methoxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide
SMILESCOC(C)(C)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3)nn2-c2ccccc2)c1
InChIInChI=1S/C23H25N5O3/c1-23(2,31-3)16-9-7-8-15(12-16)19-13-20(26-21(29)18-14-24-22(30)25-18)27-28(19)17-10-5-4-6-11-17/h4-13,18H,14H2,1-3H3,(H2,24,25,30)(H,26,27,29)/t18-/m0/s1
InChIKeyIHBHXUPKHDPEJD-SFHVURJKSA-N
XLogP3.04
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(S)-5-Oxopyrrolidine-3-carboxylic acid {1-(4-fluorophenyl)-5-[3-((R)-2,2,2-trifluoro-1-methylethoxymethyl)phenyl]-1H-pyrazol-3-yl}amide
CID 71510402
(S)-5-Oxopyrrolidine-3-carboxylic acid{5-[3-chloro-5-((R)-2,2,2-trifluoro-1-methylethoxymethyl)phenyl]-1-phenyl-1H-pyrazol-3-yl}amide
CID 71510669

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[5-[3-(2-methoxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[5-[3-(2-methoxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide (CID 89476574) is (4S)-N-[5-[3-(2-methoxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[5-[3-(2-methoxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[5-[3-(2-methoxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide is COC(C)(C)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3)nn2-c2ccccc2)c1.
What is the InChIKey of (4S)-N-[5-[3-(2-methoxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is IHBHXUPKHDPEJD-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-23(2,31-3)16-9-7-8-15(12-16)19-13-20(26-21(29)18-14-24-22(30)25-18)27-28(19)17-10-5-4-6-11-17/h4-13,18H,14H2,1-3H3,(H2,24,25,30)(H,26,27,29)/t18-/m0/s1.
What are the key properties of (4S)-N-[5-[3-(2-methoxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[5-[3-(2-methoxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[5-[3-(2-methoxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 89476574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).