3-(furan-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-phenylpyrazole-5-carboxamide

C20H21F3N4O2 — CID 55720293

IUPAC3-(furan-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-phenylpyrazole-5-carboxamide
SMILESCN(CCCNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)CC(F)(F)F
InChIInChI=1S/C20H21F3N4O2/c1-26(14-20(21,22)23)11-6-10-24-19(28)17-13-16(18-9-5-12-29-18)25-27(17)15-7-3-2-4-8-15/h2-5,7-9,12-13H,6,10-11,14H2,1H3,(H,24,28)
InChIKeyXHHPOYKUZLLJJC-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.75
Rot. Bonds8

About 3-(furan-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-phenylpyrazole-5-carboxamide

3-(furan-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 55720293) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-phenylpyrazole-5-carboxamide
PubChem CID55720293
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC Name3-(furan-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-phenylpyrazole-5-carboxamide
SMILESCN(CCCNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)CC(F)(F)F
InChIInChI=1S/C20H21F3N4O2/c1-26(14-20(21,22)23)11-6-10-24-19(28)17-13-16(18-9-5-12-29-18)25-27(17)15-7-3-2-4-8-15/h2-5,7-9,12-13H,6,10-11,14H2,1H3,(H,24,28)
InChIKeyXHHPOYKUZLLJJC-UHFFFAOYSA-N
XLogP3.75
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide
CID 46431893
3-(furan-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylpyrazole-5-carboxamide
CID 18270649
3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996
N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3946312
1-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053559
3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide
CID 3661667
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 55663154
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 49067429
[2-(butylamino)-2-oxoethyl] 3-(furan-2-yl)-1-phenylpyrazole-5-carboxylate
CID 55491371
1-(3,4-dichlorophenyl)-3-(furan-2-yl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 1053539
3-(furan-2-yl)-N-(2-methoxyethyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42762387
N-benzyl-3-(furan-2-yl)-N-(2-hydroxyethyl)-1-phenylpyrazole-5-carboxamide
CID 78855267

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-(furan-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-phenylpyrazole-5-carboxamide (CID 55720293) is 3-(furan-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-(furan-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-phenylpyrazole-5-carboxamide is CN(CCCNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)CC(F)(F)F.
What is the InChIKey of 3-(furan-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is XHHPOYKUZLLJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c1-26(14-20(21,22)23)11-6-10-24-19(28)17-13-16(18-9-5-12-29-18)25-27(17)15-7-3-2-4-8-15/h2-5,7-9,12-13H,6,10-11,14H2,1H3,(H,24,28).
What are the key properties of 3-(furan-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-phenylpyrazole-5-carboxamide?
3-(furan-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 406.41 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 55720293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).