2-[3-dibenzofuran-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide

C26H20F3N3O2 — CID 10950652

IUPAC2-[3-dibenzofuran-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C26H20F3N3O2/c1-31(2)24(33)13-17-15-32(19-7-5-6-18(14-19)26(27,28)29)30-25(17)16-10-11-23-21(12-16)20-8-3-4-9-22(20)34-23/h3-12,14-15H,13H2,1-2H3
InChIKeyANYAEWHCFFLULG-UHFFFAOYSA-N
MW463.46 g/mol
LogP6.09
Rot. Bonds4

About 2-[3-dibenzofuran-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide

2-[3-dibenzofuran-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide (PubChem CID 10950652) has the molecular formula C26H20F3N3O2 and a molecular weight of 463.46 g/mol. Its IUPAC name is 2-[3-dibenzofuran-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-dibenzofuran-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide
PubChem CID10950652
Molecular FormulaC26H20F3N3O2
Molecular Weight463.46 g/mol
Exact Mass463.15
IUPAC Name2-[3-dibenzofuran-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C26H20F3N3O2/c1-31(2)24(33)13-17-15-32(19-7-5-6-18(14-19)26(27,28)29)30-25(17)16-10-11-23-21(12-16)20-8-3-4-9-22(20)34-23/h3-12,14-15H,13H2,1-2H3
InChIKeyANYAEWHCFFLULG-UHFFFAOYSA-N
XLogP6.09
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.46
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-dibenzofuran-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-dibenzofuran-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide (CID 10950652) is 2-[3-dibenzofuran-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-dibenzofuran-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-dibenzofuran-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-[3-dibenzofuran-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide?
The InChIKey is ANYAEWHCFFLULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N3O2/c1-31(2)24(33)13-17-15-32(19-7-5-6-18(14-19)26(27,28)29)30-25(17)16-10-11-23-21(12-16)20-8-3-4-9-22(20)34-23/h3-12,14-15H,13H2,1-2H3.
What are the key properties of 2-[3-dibenzofuran-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide?
2-[3-dibenzofuran-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide has a molecular weight of 463.46 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-dibenzofuran-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 10950652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).