N-(2-benzoylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C19H14F3N3O2 — CID 35293064

IUPACN-(2-benzoylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)16-10-11-25(24-16)12-17(26)23-15-9-5-4-8-14(15)18(27)13-6-2-1-3-7-13/h1-11H,12H2,(H,23,26)
InChIKeyQKTBIFGYCFDWJS-UHFFFAOYSA-N
MW373.33 g/mol
LogP3.77
Rot. Bonds5

About N-(2-benzoylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(2-benzoylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 35293064) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID35293064
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC NameN-(2-benzoylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)16-10-11-25(24-16)12-17(26)23-15-9-5-4-8-14(15)18(27)13-6-2-1-3-7-13/h1-11H,12H2,(H,23,26)
InChIKeyQKTBIFGYCFDWJS-UHFFFAOYSA-N
XLogP3.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-benzoylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 35293064) is N-(2-benzoylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-benzoylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-benzoylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is QKTBIFGYCFDWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c20-19(21,22)16-10-11-25(24-16)12-17(26)23-15-9-5-4-8-14(15)18(27)13-6-2-1-3-7-13/h1-11H,12H2,(H,23,26).
What are the key properties of N-(2-benzoylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-benzoylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 373.33 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 35293064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).