N-[1-(2-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide

C22H16FN3O — CID 11617386

IUPACN-[1-(2-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1F)c1ccccc1
InChIInChI=1S/C22H16FN3O/c23-18-13-7-8-14-20(18)26-21(24-22(27)17-11-5-2-6-12-17)15-19(25-26)16-9-3-1-4-10-16/h1-15H,(H,24,27)
InChIKeyVUIVNEVSWBSGCC-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.93
Rot. Bonds4

About N-[1-(2-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide

N-[1-(2-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide (PubChem CID 11617386) has the molecular formula C22H16FN3O and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide
PubChem CID11617386
Molecular FormulaC22H16FN3O
Molecular Weight357.39 g/mol
Exact Mass357.13
IUPAC NameN-[1-(2-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1F)c1ccccc1
InChIInChI=1S/C22H16FN3O/c23-18-13-7-8-14-20(18)26-21(24-22(27)17-11-5-2-6-12-17)15-19(25-26)16-9-3-1-4-10-16/h1-15H,(H,24,27)
InChIKeyVUIVNEVSWBSGCC-UHFFFAOYSA-N
XLogP4.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide?
The IUPAC name of N-[1-(2-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide (CID 11617386) is N-[1-(2-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide is O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1F)c1ccccc1.
What is the InChIKey of N-[1-(2-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide?
The InChIKey is VUIVNEVSWBSGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O/c23-18-13-7-8-14-20(18)26-21(24-22(27)17-11-5-2-6-12-17)15-19(25-26)16-9-3-1-4-10-16/h1-15H,(H,24,27).
What are the key properties of N-[1-(2-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide?
N-[1-(2-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide has a molecular weight of 357.39 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide is sourced from PubChem (CID 11617386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).