N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethyl)benzamide

C23H16F3N3O — CID 11246786

IUPACN-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)18-13-11-17(12-14-18)22(30)27-21-15-20(16-7-3-1-4-8-16)28-29(21)19-9-5-2-6-10-19/h1-15H,(H,27,30)
InChIKeyKFZBTHNKNHZQIS-UHFFFAOYSA-N
MW407.40 g/mol
LogP5.81
Rot. Bonds4

About N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethyl)benzamide

N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 11246786) has the molecular formula C23H16F3N3O and a molecular weight of 407.40 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID11246786
Molecular FormulaC23H16F3N3O
Molecular Weight407.40 g/mol
Exact Mass407.12
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)18-13-11-17(12-14-18)22(30)27-21-15-20(16-7-3-1-4-8-16)28-29(21)19-9-5-2-6-10-19/h1-15H,(H,27,30)
InChIKeyKFZBTHNKNHZQIS-UHFFFAOYSA-N
XLogP5.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.40
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 11246786) is N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethyl)benzamide is O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is KFZBTHNKNHZQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O/c24-23(25,26)18-13-11-17(12-14-18)22(30)27-21-15-20(16-7-3-1-4-8-16)28-29(21)19-9-5-2-6-10-19/h1-15H,(H,27,30).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethyl)benzamide?
N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 407.40 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 11246786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).