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

C23H17F3N4O — CID 44622001

IUPAC2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(-c2[nH]ncc2-c2ccncc2)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H17F3N4O/c24-23(25,26)18-4-6-19(7-5-18)29-21(31)13-15-2-1-3-17(12-15)22-20(14-28-30-22)16-8-10-27-11-9-16/h1-12,14H,13H2,(H,28,30)(H,29,31)
InChIKeyQJRXVENVVKLKCZ-UHFFFAOYSA-N
MW422.41 g/mol
LogP5.34
Rot. Bonds5

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

2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 44622001) has the molecular formula C23H17F3N4O and a molecular weight of 422.41 g/mol. Its IUPAC name is 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID44622001
Molecular FormulaC23H17F3N4O
Molecular Weight422.41 g/mol
Exact Mass422.14
IUPAC Name2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(-c2[nH]ncc2-c2ccncc2)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H17F3N4O/c24-23(25,26)18-4-6-19(7-5-18)29-21(31)13-15-2-1-3-17(12-15)22-20(14-28-30-22)16-8-10-27-11-9-16/h1-12,14H,13H2,(H,28,30)(H,29,31)
InChIKeyQJRXVENVVKLKCZ-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 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 44622001) is 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(-c2[nH]ncc2-c2ccncc2)c1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QJRXVENVVKLKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O/c24-23(25,26)18-4-6-19(7-5-18)29-21(31)13-15-2-1-3-17(12-15)22-20(14-28-30-22)16-8-10-27-11-9-16/h1-12,14H,13H2,(H,28,30)(H,29,31).
What are the key properties of 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-N-[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 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 44622001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).