ethyl 5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxylate

C24H18F3N5O3 — CID 121393702

IUPACethyl 5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxylate
SMILESCCOC(=O)n1c(-c2ccnn2-c2ccc(C#N)cc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C24H18F3N5O3/c1-3-35-23(34)31-21(20-11-12-29-32(20)18-9-7-16(14-28)8-10-18)15(2)30(22(31)33)19-6-4-5-17(13-19)24(25,26)27/h4-13H,3H2,1-2H3
InChIKeyLWELPKRMZGCSHH-UHFFFAOYSA-N
MW481.43 g/mol
LogP4.70
Rot. Bonds4

About ethyl 5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxylate

ethyl 5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxylate (PubChem CID 121393702) has the molecular formula C24H18F3N5O3 and a molecular weight of 481.43 g/mol. Its IUPAC name is ethyl 5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxylate
PubChem CID121393702
Molecular FormulaC24H18F3N5O3
Molecular Weight481.43 g/mol
Exact Mass481.14
IUPAC Nameethyl 5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxylate
SMILESCCOC(=O)n1c(-c2ccnn2-c2ccc(C#N)cc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C24H18F3N5O3/c1-3-35-23(34)31-21(20-11-12-29-32(20)18-9-7-16(14-28)8-10-18)15(2)30(22(31)33)19-6-4-5-17(13-19)24(25,26)27/h4-13H,3H2,1-2H3
InChIKeyLWELPKRMZGCSHH-UHFFFAOYSA-N
XLogP4.70
TPSA94.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.43
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-[3-ethyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrazol-1-yl]benzonitrile
CID 150418606
5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[3-(dimethylamino)propyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 121393735
4-[5-[3-acetyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrazol-1-yl]benzonitrile;tert-butyl carbamate;propylcyclohexane
CID 145410197
2-[4-[[5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carbonyl]amino]cyclohexyl]ethyl-ethyl-dimethylazanium
CID 162606835
4-[5-[5-methyl-2-oxo-3-[(4R)-4-(oxolan-3-yl)pentanoyl]-1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrazol-1-yl]benzonitrile
CID 162575876
2-[5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 121393725
5-[2-(4-cyanophenyl)-1,2,4-triazol-3-yl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxylic acid
CID 121393697
5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1R)-1-(3,4-dihydropyridin-4-yl)ethyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 155216977
5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 155216989
4-[5-[3-acetyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrazol-1-yl]benzonitrile;ethyl-dimethyl-(4-propylcyclohexyl)azanium;methoxysulfanylbenzene
CID 145410231
[2-[(1S)-1-[[5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carbonyl]amino]propyl]-1,3-oxazol-5-yl]methyl-dimethyl-methyliodanuidylazanium
CID 162619117
5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-sulfonamide
CID 121393757

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxylate?
The IUPAC name of ethyl 5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxylate (CID 121393702) is ethyl 5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxylate.
What is the SMILES notation for ethyl 5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxylate?
The canonical SMILES for ethyl 5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxylate is CCOC(=O)n1c(-c2ccnn2-c2ccc(C#N)cc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of ethyl 5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxylate?
The InChIKey is LWELPKRMZGCSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O3/c1-3-35-23(34)31-21(20-11-12-29-32(20)18-9-7-16(14-28)8-10-18)15(2)30(22(31)33)19-6-4-5-17(13-19)24(25,26)27/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxylate?
ethyl 5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxylate has a molecular weight of 481.43 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxylate is sourced from PubChem (CID 121393702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).