6-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]piperidine-3-carboxamide

C22H19F3N4O3 — CID 89476886

IUPAC6-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]piperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3)n2)CN1
InChIInChI=1S/C22H19F3N4O3/c23-22(24,25)32-17-8-4-5-14(11-17)18-12-19(28-29(18)16-6-2-1-3-7-16)27-21(31)15-9-10-20(30)26-13-15/h1-8,11-12,15H,9-10,13H2,(H,26,30)(H,27,28,31)
InChIKeyBGZNYEODXZATJK-UHFFFAOYSA-N
MW444.41 g/mol
LogP3.90
Rot. Bonds5

About 6-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]piperidine-3-carboxamide

6-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]piperidine-3-carboxamide (PubChem CID 89476886) has the molecular formula C22H19F3N4O3 and a molecular weight of 444.41 g/mol. Its IUPAC name is 6-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]piperidine-3-carboxamide
PubChem CID89476886
Molecular FormulaC22H19F3N4O3
Molecular Weight444.41 g/mol
Exact Mass444.14
IUPAC Name6-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]piperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3)n2)CN1
InChIInChI=1S/C22H19F3N4O3/c23-22(24,25)32-17-8-4-5-14(11-17)18-12-19(28-29(18)16-6-2-1-3-7-16)27-21(31)15-9-10-20(30)26-13-15/h1-8,11-12,15H,9-10,13H2,(H,26,30)(H,27,28,31)
InChIKeyBGZNYEODXZATJK-UHFFFAOYSA-N
XLogP3.90
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]piperidine-3-carboxamide?
The IUPAC name of 6-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]piperidine-3-carboxamide (CID 89476886) is 6-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]piperidine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]piperidine-3-carboxamide is O=C1CCC(C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3)n2)CN1.
What is the InChIKey of 6-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]piperidine-3-carboxamide?
The InChIKey is BGZNYEODXZATJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O3/c23-22(24,25)32-17-8-4-5-14(11-17)18-12-19(28-29(18)16-6-2-1-3-7-16)27-21(31)15-9-10-20(30)26-13-15/h1-8,11-12,15H,9-10,13H2,(H,26,30)(H,27,28,31).
What are the key properties of 6-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]piperidine-3-carboxamide?
6-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]piperidine-3-carboxamide has a molecular weight of 444.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 89476886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).