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

C23H16F3N3O — CID 11675856

IUPACN-(1,3-diphenylpyrazol-5-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)18-11-7-10-17(14-18)22(30)27-21-15-20(16-8-3-1-4-9-16)28-29(21)19-12-5-2-6-13-19/h1-15H,(H,27,30)
InChIKeyFIZSVTZLILCHQS-UHFFFAOYSA-N
MW407.40 g/mol
LogP5.81
Rot. Bonds4

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

N-(1,3-diphenylpyrazol-5-yl)-3-(trifluoromethyl)benzamide (PubChem CID 11675856) has the molecular formula C23H16F3N3O and a molecular weight of 407.40 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-3-(trifluoromethyl)benzamide
PubChem CID11675856
Molecular FormulaC23H16F3N3O
Molecular Weight407.40 g/mol
Exact Mass407.12
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)18-11-7-10-17(14-18)22(30)27-21-15-20(16-8-3-1-4-9-16)28-29(21)19-12-5-2-6-13-19/h1-15H,(H,27,30)
InChIKeyFIZSVTZLILCHQS-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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Related Compounds

3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11245456
N-(1,3-diphenyl-1H-pyrazolo-5-yl)-4-nitrobenzamide
CID 11610682
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
4-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11574130
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
VU-1545
CID 11625520
N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide
CID 155937487
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-2-methylbenzamide
CID 1508258
3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
N1-(3-phenyl-1H-pyrazol-5-yl)-2-fluorobenzamide
CID 339733
N1-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 339735
n-(1,3-Diphenyl-1h-pyrazol-5-yl)-4-fluorobenzamide
CID 11164167

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-3-(trifluoromethyl)benzamide (CID 11675856) is N-(1,3-diphenylpyrazol-5-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-3-(trifluoromethyl)benzamide is O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is FIZSVTZLILCHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O/c24-23(25,26)18-11-7-10-17(14-18)22(30)27-21-15-20(16-8-3-1-4-9-16)28-29(21)19-12-5-2-6-13-19/h1-15H,(H,27,30).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-3-(trifluoromethyl)benzamide?
N-(1,3-diphenylpyrazol-5-yl)-3-(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)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 11675856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).