1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C23H16F3N3O — CID 19281225

IUPAC1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)19-13-7-8-14-20(19)27-22(30)18-15-29(17-11-5-2-6-12-17)28-21(18)16-9-3-1-4-10-16/h1-15H,(H,27,30)
InChIKeyDBFDRXHDJXNJSN-UHFFFAOYSA-N
MW407.40 g/mol
LogP5.81
Rot. Bonds4

About 1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 19281225) has the molecular formula C23H16F3N3O and a molecular weight of 407.40 g/mol. Its IUPAC name is 1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID19281225
Molecular FormulaC23H16F3N3O
Molecular Weight407.40 g/mol
Exact Mass407.12
IUPAC Name1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)19-13-7-8-14-20(19)27-22(30)18-15-29(17-11-5-2-6-12-17)28-21(18)16-9-3-1-4-10-16/h1-15H,(H,27,30)
InChIKeyDBFDRXHDJXNJSN-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

N-(5-fluoro-2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7777734
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 1295858
N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281305
1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 2991256
3-(3-chlorophenyl)-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 154929741
N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7914296
N-(2-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 17482398
3-(4-fluorophenyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 4114034
4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 2360683
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
N-(2-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 23935617
3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide
CID 1339749

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 19281225) is 1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is DBFDRXHDJXNJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O/c24-23(25,26)19-13-7-8-14-20(19)27-22(30)18-15-29(17-11-5-2-6-12-17)28-21(18)16-9-3-1-4-10-16/h1-15H,(H,27,30).
What are the key properties of 1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide 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 1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 19281225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).