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

C23H16F3N3O2 — CID 11647509

IUPACN-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H16F3N3O2/c24-23(25,26)31-19-13-11-17(12-14-19)22(30)27-21-15-20(16-7-3-1-4-8-16)28-29(21)18-9-5-2-6-10-18/h1-15H,(H,27,30)
InChIKeyVVZIZFWZHDLBGC-UHFFFAOYSA-N
MW423.39 g/mol
LogP5.69
Rot. Bonds5

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

N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 11647509) has the molecular formula C23H16F3N3O2 and a molecular weight of 423.39 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethoxy)benzamide
PubChem CID11647509
Molecular FormulaC23H16F3N3O2
Molecular Weight423.39 g/mol
Exact Mass423.12
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H16F3N3O2/c24-23(25,26)31-19-13-11-17(12-14-19)22(30)27-21-15-20(16-7-3-1-4-8-16)28-29(21)18-9-5-2-6-10-18/h1-15H,(H,27,30)
InChIKeyVVZIZFWZHDLBGC-UHFFFAOYSA-N
XLogP5.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.39
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethoxy)benzamide (CID 11647509) is N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethoxy)benzamide is O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is VVZIZFWZHDLBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O2/c24-23(25,26)31-19-13-11-17(12-14-19)22(30)27-21-15-20(16-7-3-1-4-8-16)28-29(21)18-9-5-2-6-10-18/h1-15H,(H,27,30).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethoxy)benzamide?
N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 423.39 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpyrazol-5-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 11647509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).