N-(oxan-4-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

C16H16F3N3O2 — CID 71937523

IUPACN-(oxan-4-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESO=C(NC1CCOCC1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)14-5-8-22(21-14)13-3-1-11(2-4-13)15(23)20-12-6-9-24-10-7-12/h1-5,8,12H,6-7,9-10H2,(H,20,23)
InChIKeyPNYBOHGRVHUYGS-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.80
Rot. Bonds3

About N-(oxan-4-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

N-(oxan-4-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 71937523) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-(oxan-4-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID71937523
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC NameN-(oxan-4-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESO=C(NC1CCOCC1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)14-5-8-22(21-14)13-3-1-11(2-4-13)15(23)20-12-6-9-24-10-7-12/h1-5,8,12H,6-7,9-10H2,(H,20,23)
InChIKeyPNYBOHGRVHUYGS-UHFFFAOYSA-N
XLogP2.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-(oxan-4-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 71937523) is N-(oxan-4-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(oxan-4-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(oxan-4-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is O=C(NC1CCOCC1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-(oxan-4-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is PNYBOHGRVHUYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c17-16(18,19)14-5-8-22(21-14)13-3-1-11(2-4-13)15(23)20-12-6-9-24-10-7-12/h1-5,8,12H,6-7,9-10H2,(H,20,23).
What are the key properties of N-(oxan-4-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-(oxan-4-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 339.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 71937523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).