N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide

C22H15F2N3O — CID 11383259

IUPACN-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cc(F)ccc1F
InChIInChI=1S/C22H15F2N3O/c23-16-11-12-19(24)18(13-16)22(28)25-21-14-20(15-7-3-1-4-8-15)26-27(21)17-9-5-2-6-10-17/h1-14H,(H,25,28)
InChIKeyMEBNWLGWUITDQR-UHFFFAOYSA-N
MW375.38 g/mol
LogP5.07
Rot. Bonds4

About N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide

N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide (PubChem CID 11383259) has the molecular formula C22H15F2N3O and a molecular weight of 375.38 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide
PubChem CID11383259
Molecular FormulaC22H15F2N3O
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cc(F)ccc1F
InChIInChI=1S/C22H15F2N3O/c23-16-11-12-19(24)18(13-16)22(28)25-21-14-20(15-7-3-1-4-8-15)26-27(21)17-9-5-2-6-10-17/h1-14H,(H,25,28)
InChIKeyMEBNWLGWUITDQR-UHFFFAOYSA-N
XLogP5.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.38
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134796816
2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088054
4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46087927
3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide
CID 46088012
1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea
CID 71812409
N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,6-dimethoxypyridine-3-carboxamide
CID 91633981
2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide
CID 1052048
2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide
CID 47021837
2,5-difluoro-N-(3-phenyl-1,2-thiazol-5-yl)benzamide
CID 99564612
N-(1,3-diphenylpyrazol-5-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 11473880
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 42732051
3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134799352

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide (CID 11383259) is N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide is O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cc(F)ccc1F.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide?
The InChIKey is MEBNWLGWUITDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O/c23-16-11-12-19(24)18(13-16)22(28)25-21-14-20(15-7-3-1-4-8-15)26-27(21)17-9-5-2-6-10-17/h1-14H,(H,25,28).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide?
N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide has a molecular weight of 375.38 g/mol, XLogP of 5.07, 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)-2,5-difluorobenzamide is sourced from PubChem (CID 11383259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).