N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)benzamide

C23H17F3N4O2 — CID 23649441

IUPACN-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)benzamide
SMILESCn1cc(-c2cc(Oc3cccc(NC(=O)c4ccccc4C(F)(F)F)c3)ccn2)cn1
InChIInChI=1S/C23H17F3N4O2/c1-30-14-15(13-28-30)21-12-18(9-10-27-21)32-17-6-4-5-16(11-17)29-22(31)19-7-2-3-8-20(19)23(24,25)26/h2-14H,1H3,(H,29,31)
InChIKeyKZMLHHYKCUDICG-UHFFFAOYSA-N
MW438.41 g/mol
LogP5.55
Rot. Bonds5

About N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)benzamide

N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 23649441) has the molecular formula C23H17F3N4O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)benzamide
PubChem CID23649441
Molecular FormulaC23H17F3N4O2
Molecular Weight438.41 g/mol
Exact Mass438.13
IUPAC NameN-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)benzamide
SMILESCn1cc(-c2cc(Oc3cccc(NC(=O)c4ccccc4C(F)(F)F)c3)ccn2)cn1
InChIInChI=1S/C23H17F3N4O2/c1-30-14-15(13-28-30)21-12-18(9-10-27-21)32-17-6-4-5-16(11-17)29-22(31)19-7-2-3-8-20(19)23(24,25)26/h2-14H,1H3,(H,29,31)
InChIKeyKZMLHHYKCUDICG-UHFFFAOYSA-N
XLogP5.55
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)benzamide (CID 23649441) is N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)benzamide is Cn1cc(-c2cc(Oc3cccc(NC(=O)c4ccccc4C(F)(F)F)c3)ccn2)cn1.
What is the InChIKey of N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is KZMLHHYKCUDICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2/c1-30-14-15(13-28-30)21-12-18(9-10-27-21)32-17-6-4-5-16(11-17)29-22(31)19-7-2-3-8-20(19)23(24,25)26/h2-14H,1H3,(H,29,31).
What are the key properties of N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)benzamide?
N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 438.41 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 23649441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).