2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide;2,2,2-trifluoroacetic acid

C18H26F3N5O3 — CID 154887093

IUPAC2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCCc1nccn1CC(=O)Nc1cc(C)nn1CCC(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N5O.C2HF3O2/c1-5-14-17-7-9-20(14)11-16(22)18-15-10-13(4)19-21(15)8-6-12(2)3;3-2(4,5)1(6)7/h7,9-10,12H,5-6,8,11H2,1-4H3,(H,18,22);(H,6,7)
InChIKeyXPKJIIFBAZPFPJ-UHFFFAOYSA-N
MW417.43 g/mol
LogP3.27
Rot. Bonds7

About 2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide;2,2,2-trifluoroacetic acid

2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 154887093) has the molecular formula C18H26F3N5O3 and a molecular weight of 417.43 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID154887093
Molecular FormulaC18H26F3N5O3
Molecular Weight417.43 g/mol
Exact Mass417.20
IUPAC Name2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCCc1nccn1CC(=O)Nc1cc(C)nn1CCC(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N5O.C2HF3O2/c1-5-14-17-7-9-20(14)11-16(22)18-15-10-13(4)19-21(15)8-6-12(2)3;3-2(4,5)1(6)7/h7,9-10,12H,5-6,8,11H2,1-4H3,(H,18,22);(H,6,7)
InChIKeyXPKJIIFBAZPFPJ-UHFFFAOYSA-N
XLogP3.27
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 91911715
2-(4-methylimidazol-1-yl)-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)acetamide
CID 46996097
2-(2-isopropyl-1H-imidazol-1-yl)-N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}propanamide
CID 72899172
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 92553785
N-[2-(2-cyclobutyl-5-methylimidazol-1-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 124048967
N-{2-[5-Methyl-1-(propan-2-YL)-1H-imidazol-2-YL]ethyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]acetamide
CID 124078818
N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-2-(3-methyl-1H-pyrazol-1-yl)acetamide
CID 124048732
N-(1-isopropyl-1H-1,2,3-triazol-4-yl)-2-{4-[4-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrazol-1-yl}acetamide
CID 30882173
2-(2-ethyl-1H-imidazol-1-yl)-N-[3-methyl-1-(3-methylbutyl)-1H-pyrazol-5-yl]acetamide trifluoroacetate
CID 46988665
N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylimidazol-1-yl)acetamide
CID 75433248
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-N-[(1-isopropyl-1H-imidazol-2-yl)methyl]acetamide
CID 91760917
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]acetamide
CID 91796524

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide;2,2,2-trifluoroacetic acid (CID 154887093) is 2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide;2,2,2-trifluoroacetic acid is CCc1nccn1CC(=O)Nc1cc(C)nn1CCC(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is XPKJIIFBAZPFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O.C2HF3O2/c1-5-14-17-7-9-20(14)11-16(22)18-15-10-13(4)19-21(15)8-6-12(2)3;3-2(4,5)1(6)7/h7,9-10,12H,5-6,8,11H2,1-4H3,(H,18,22);(H,6,7).
What are the key properties of 2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide;2,2,2-trifluoroacetic acid?
2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 417.43 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154887093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).