2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide

C21H15FN4O — CID 134796816

IUPAC2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
SMILESO=C(Nc1cc(-c2ccncc2)nn1-c1ccccc1)c1ccccc1F
InChIInChI=1S/C21H15FN4O/c22-18-9-5-4-8-17(18)21(27)24-20-14-19(15-10-12-23-13-11-15)25-26(20)16-6-2-1-3-7-16/h1-14H,(H,24,27)
InChIKeyXQZJVOFGAUUPHX-UHFFFAOYSA-N
MW358.38 g/mol
LogP4.33
Rot. Bonds4

About 2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide

2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide (PubChem CID 134796816) has the molecular formula C21H15FN4O and a molecular weight of 358.38 g/mol. Its IUPAC name is 2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
PubChem CID134796816
Molecular FormulaC21H15FN4O
Molecular Weight358.38 g/mol
Exact Mass358.12
IUPAC Name2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
SMILESO=C(Nc1cc(-c2ccncc2)nn1-c1ccccc1)c1ccccc1F
InChIInChI=1S/C21H15FN4O/c22-18-9-5-4-8-17(18)21(27)24-20-14-19(15-10-12-23-13-11-15)25-26(20)16-6-2-1-3-7-16/h1-14H,(H,24,27)
InChIKeyXQZJVOFGAUUPHX-UHFFFAOYSA-N
XLogP4.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide
CID 11383259
3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134799352
N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
CID 134800103
1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea
CID 71812409
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
N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide
CID 170346210
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 60591904
N-(1,3-diphenylpyrazol-5-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 11473880
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide
CID 51275491
3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide
CID 46088012
N-[3-[4-[(3-chloro-2-methylidenebut-3-enoyl)amino]phenyl]-1-methylpyrazol-5-yl]-2-fluorobenzamide
CID 170413097

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide?
The IUPAC name of 2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide (CID 134796816) is 2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide is O=C(Nc1cc(-c2ccncc2)nn1-c1ccccc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide?
The InChIKey is XQZJVOFGAUUPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O/c22-18-9-5-4-8-17(18)21(27)24-20-14-19(15-10-12-23-13-11-15)25-26(20)16-6-2-1-3-7-16/h1-14H,(H,24,27).
What are the key properties of 2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide?
2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide has a molecular weight of 358.38 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide is sourced from PubChem (CID 134796816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).