4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide

C23H18FN3O — CID 46087927

IUPAC4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
SMILESCc1ccc(-c2cc(NC(=O)c3ccc(F)cc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H18FN3O/c1-16-7-9-17(10-8-16)21-15-22(27(26-21)20-5-3-2-4-6-20)25-23(28)18-11-13-19(24)14-12-18/h2-15H,1H3,(H,25,28)
InChIKeyMHMTZAZLIYBMNR-UHFFFAOYSA-N
MW371.42 g/mol
LogP5.24
Rot. Bonds4

About 4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide

4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide (PubChem CID 46087927) has the molecular formula C23H18FN3O and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
PubChem CID46087927
Molecular FormulaC23H18FN3O
Molecular Weight371.42 g/mol
Exact Mass371.14
IUPAC Name4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
SMILESCc1ccc(-c2cc(NC(=O)c3ccc(F)cc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H18FN3O/c1-16-7-9-17(10-8-16)21-15-22(27(26-21)20-5-3-2-4-6-20)25-23(28)18-11-13-19(24)14-12-18/h2-15H,1H3,(H,25,28)
InChIKeyMHMTZAZLIYBMNR-UHFFFAOYSA-N
XLogP5.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.42
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088054
N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide
CID 11383259
N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 42732968
4-tert-butyl-N-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]benzamide
CID 46087774
4-tert-butyl-N-[3-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1-phenylpyrazol-5-yl]benzamide
CID 2323868
N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide
CID 42730554
3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide
CID 46088012
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 42732051
N-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 46088027
3,5-dichloro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088105
1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide
CID 4638093
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide
CID 3372740

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide (CID 46087927) is 4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide is Cc1ccc(-c2cc(NC(=O)c3ccc(F)cc3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide?
The InChIKey is MHMTZAZLIYBMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O/c1-16-7-9-17(10-8-16)21-15-22(27(26-21)20-5-3-2-4-6-20)25-23(28)18-11-13-19(24)14-12-18/h2-15H,1H3,(H,25,28).
What are the key properties of 4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide?
4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide has a molecular weight of 371.42 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide is sourced from PubChem (CID 46087927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).