5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]propyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide

C31H31F3N8O3 — CID 146488883

About 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]propyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide

5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]propyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide (PubChem CID 146488883) has the molecular formula C31H31F3N8O3 and a molecular weight of 620.64 g/mol. Its IUPAC name is 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]propyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]propyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide
• PubChem CID: 146488883
• Molecular Formula: C31H31F3N8O3
• Molecular Weight: 620.64 g/mol
• Exact Mass: 620.25
• IUPAC Name: 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]propyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide
• SMILES: CC[C@H](NC(=O)N1C(=O)N(c2cccc(C(F)(F)F)c2)C(C)C1c1ccnn1-c1ccc(C#N)cc1)c1ncc(CN(C)C)o1
• InChI: InChI=1S/C31H31F3N8O3/c1-5-25(28-36-17-24(45-28)18-39(3)4)38-29(43)41-27(26-13-14-37-42(26)22-11-9-20(16-35)10-12-22)19(2)40(30(41)44)23-8-6-7-21(15-23)31(32,33)34/h6-15,17,19,25,27H,5,18H2,1-4H3,(H,38,43)/t19?,25-,27?/m0/s1
• InChIKey: ONWAREKJHXJQTC-ZUQPMPHSSA-N
• XLogP: 6.05
• TPSA: 123.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.64
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]propyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide?

The IUPAC name of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]propyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide (CID 146488883) is 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]propyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide.

What is the SMILES notation for 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]propyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide?

The canonical SMILES for 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]propyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide is CC[C@H](NC(=O)N1C(=O)N(c2cccc(C(F)(F)F)c2)C(C)C1c1ccnn1-c1ccc(C#N)cc1)c1ncc(CN(C)C)o1.

What is the InChIKey of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]propyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide?

The InChIKey is ONWAREKJHXJQTC-ZUQPMPHSSA-N. The full InChI is InChI=1S/C31H31F3N8O3/c1-5-25(28-36-17-24(45-28)18-39(3)4)38-29(43)41-27(26-13-14-37-42(26)22-11-9-20(16-35)10-12-22)19(2)40(30(41)44)23-8-6-7-21(15-23)31(32,33)34/h6-15,17,19,25,27H,5,18H2,1-4H3,(H,38,43)/t19?,25-,27?/m0/s1.

What are the key properties of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]propyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide?

5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]propyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide has a molecular weight of 620.64 g/mol, XLogP of 6.05, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]propyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide is sourced from PubChem (CID 146488883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).