N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C23H17F3N4O — CID 44621794

IUPACN-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2[nH]ncc2-c2ccncc2)c1
InChIInChI=1S/C23H17F3N4O/c24-23(25,26)18-6-4-15(5-7-18)12-21(31)29-19-3-1-2-17(13-19)22-20(14-28-30-22)16-8-10-27-11-9-16/h1-11,13-14H,12H2,(H,28,30)(H,29,31)
InChIKeyXEDFKFUJISMVCO-UHFFFAOYSA-N
MW422.41 g/mol
LogP5.34
Rot. Bonds5

About N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 44621794) has the molecular formula C23H17F3N4O and a molecular weight of 422.41 g/mol. Its IUPAC name is N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID44621794
Molecular FormulaC23H17F3N4O
Molecular Weight422.41 g/mol
Exact Mass422.14
IUPAC NameN-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2[nH]ncc2-c2ccncc2)c1
InChIInChI=1S/C23H17F3N4O/c24-23(25,26)18-6-4-15(5-7-18)12-21(31)29-19-3-1-2-17(13-19)22-20(14-28-30-22)16-8-10-27-11-9-16/h1-11,13-14H,12H2,(H,28,30)(H,29,31)
InChIKeyXEDFKFUJISMVCO-UHFFFAOYSA-N
XLogP5.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.41
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 44621794) is N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2[nH]ncc2-c2ccncc2)c1.
What is the InChIKey of N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XEDFKFUJISMVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O/c24-23(25,26)18-6-4-15(5-7-18)12-21(31)29-19-3-1-2-17(13-19)22-20(14-28-30-22)16-8-10-27-11-9-16/h1-11,13-14H,12H2,(H,28,30)(H,29,31).
What are the key properties of N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 422.41 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 44621794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).