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

C23H17F3N4O3 — CID 23649423

IUPACN-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethoxy)benzamide
SMILESCn1cc(-c2cc(Oc3cccc(NC(=O)c4cccc(OC(F)(F)F)c4)c3)ccn2)cn1
InChIInChI=1S/C23H17F3N4O3/c1-30-14-16(13-28-30)21-12-19(8-9-27-21)32-18-6-3-5-17(11-18)29-22(31)15-4-2-7-20(10-15)33-23(24,25)26/h2-14H,1H3,(H,29,31)
InChIKeyJSFJUDMDAJEDBZ-UHFFFAOYSA-N
MW454.41 g/mol
LogP5.43
Rot. Bonds6

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

N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethoxy)benzamide (PubChem CID 23649423) has the molecular formula C23H17F3N4O3 and a molecular weight of 454.41 g/mol. Its IUPAC name is N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethoxy)benzamide
PubChem CID23649423
Molecular FormulaC23H17F3N4O3
Molecular Weight454.41 g/mol
Exact Mass454.13
IUPAC NameN-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethoxy)benzamide
SMILESCn1cc(-c2cc(Oc3cccc(NC(=O)c4cccc(OC(F)(F)F)c4)c3)ccn2)cn1
InChIInChI=1S/C23H17F3N4O3/c1-30-14-16(13-28-30)21-12-19(8-9-27-21)32-18-6-3-5-17(11-18)29-22(31)15-4-2-7-20(10-15)33-23(24,25)26/h2-14H,1H3,(H,29,31)
InChIKeyJSFJUDMDAJEDBZ-UHFFFAOYSA-N
XLogP5.43
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.41
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethoxy)benzamide (CID 23649423) is N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethoxy)benzamide is Cn1cc(-c2cc(Oc3cccc(NC(=O)c4cccc(OC(F)(F)F)c4)c3)ccn2)cn1.
What is the InChIKey of N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is JSFJUDMDAJEDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O3/c1-30-14-16(13-28-30)21-12-19(8-9-27-21)32-18-6-3-5-17(11-18)29-22(31)15-4-2-7-20(10-15)33-23(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]-3-(trifluoromethoxy)benzamide?
N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 454.41 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 23649423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).