N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide

C17H12F3N3O — CID 84565036

IUPACN-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1)c1ccccc1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)14-13(11-7-3-1-4-8-11)15(23-22-14)21-16(24)12-9-5-2-6-10-12/h1-10H,(H2,21,22,23,24)
InChIKeyJJKLEYQHQWWKKP-UHFFFAOYSA-N
MW331.30 g/mol
LogP4.35
Rot. Bonds3

About N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide

N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide (PubChem CID 84565036) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
PubChem CID84565036
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC NameN-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1)c1ccccc1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)14-13(11-7-3-1-4-8-11)15(23-22-14)21-16(24)12-9-5-2-6-10-12/h1-10H,(H2,21,22,23,24)
InChIKeyJJKLEYQHQWWKKP-UHFFFAOYSA-N
XLogP4.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565038
3-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565044
2-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565043
N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
CID 84565030
1-(3-chlorophenyl)-3-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]urea
CID 84565072
N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide
CID 10135042
4-phenyl-3,5-bis(trifluoromethyl)-1H-pyrazole
CID 15075858
(E)-3-(3,4-dimethoxyphenyl)-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]prop-2-enamide
CID 84565685
3-benzamido-1H-indazole-5-carboxylic acid
CID 129093990
N-[4-benzoyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide
CID 131843137
N-(5-hydroxy-1H-indazol-3-yl)benzamide
CID 45086916
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide
CID 69059504

Frequently Asked Questions

What is the IUPAC name of N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide (CID 84565036) is N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide is O=C(Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is JJKLEYQHQWWKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O/c18-17(19,20)14-13(11-7-3-1-4-8-11)15(23-22-14)21-16(24)12-9-5-2-6-10-12/h1-10H,(H2,21,22,23,24).
What are the key properties of N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 331.30 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 84565036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).