N-(1,3-diphenylpyrazol-5-yl)-4-fluorobenzamide

C22H16FN3O — CID 11164167

IUPACN-(1,3-diphenylpyrazol-5-yl)-4-fluorobenzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H16FN3O/c23-18-13-11-17(12-14-18)22(27)24-21-15-20(16-7-3-1-4-8-16)25-26(21)19-9-5-2-6-10-19/h1-15H,(H,24,27)
InChIKeyVIMRCXXPTSILOA-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.93
Rot. Bonds4

About N-(1,3-diphenylpyrazol-5-yl)-4-fluorobenzamide

N-(1,3-diphenylpyrazol-5-yl)-4-fluorobenzamide (PubChem CID 11164167) has the molecular formula C22H16FN3O and a molecular weight of 357.39 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-4-fluorobenzamide
PubChem CID11164167
Molecular FormulaC22H16FN3O
Molecular Weight357.39 g/mol
Exact Mass357.13
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-4-fluorobenzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H16FN3O/c23-18-13-11-17(12-14-18)22(27)24-21-15-20(16-7-3-1-4-8-16)25-26(21)19-9-5-2-6-10-19/h1-15H,(H,24,27)
InChIKeyVIMRCXXPTSILOA-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-(1,3-diphenylpyrazol-5-yl)-4-fluorobenzamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-4-fluorobenzamide (CID 11164167) is N-(1,3-diphenylpyrazol-5-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-4-fluorobenzamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-4-fluorobenzamide is O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-4-fluorobenzamide?
The InChIKey is VIMRCXXPTSILOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O/c23-18-13-11-17(12-14-18)22(27)24-21-15-20(16-7-3-1-4-8-16)25-26(21)19-9-5-2-6-10-19/h1-15H,(H,24,27).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-4-fluorobenzamide?
N-(1,3-diphenylpyrazol-5-yl)-4-fluorobenzamide 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-(1,3-diphenylpyrazol-5-yl)-4-fluorobenzamide is sourced from PubChem (CID 11164167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).