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

C22H16FN3O — CID 11451163

IUPACN-(1,3-diphenylpyrazol-5-yl)-3-fluorobenzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C22H16FN3O/c23-18-11-7-10-17(14-18)22(27)24-21-15-20(16-8-3-1-4-9-16)25-26(21)19-12-5-2-6-13-19/h1-15H,(H,24,27)
InChIKeyQZORXXWBXJAPEC-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.93
Rot. Bonds4

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

N-(1,3-diphenylpyrazol-5-yl)-3-fluorobenzamide (PubChem CID 11451163) has the molecular formula C22H16FN3O and a molecular weight of 357.39 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-3-fluorobenzamide
PubChem CID11451163
Molecular FormulaC22H16FN3O
Molecular Weight357.39 g/mol
Exact Mass357.13
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-3-fluorobenzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C22H16FN3O/c23-18-11-7-10-17(14-18)22(27)24-21-15-20(16-8-3-1-4-9-16)25-26(21)19-12-5-2-6-13-19/h1-15H,(H,24,27)
InChIKeyQZORXXWBXJAPEC-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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Related Compounds

3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11245456
N-(1,3-diphenyl-1H-pyrazolo-5-yl)-4-nitrobenzamide
CID 11610682
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
4-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11574130
N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)benzamide
CID 2814962
2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
VU-1545
CID 11625520
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-2-methylbenzamide
CID 1508258
3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
N1-(3-phenyl-1H-pyrazol-5-yl)-2-fluorobenzamide
CID 339733
N1-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 339735
n-(1,3-Diphenyl-1h-pyrazol-5-yl)-4-fluorobenzamide
CID 11164167

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-3-fluorobenzamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-3-fluorobenzamide (CID 11451163) is N-(1,3-diphenylpyrazol-5-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-3-fluorobenzamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-3-fluorobenzamide is O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cccc(F)c1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-3-fluorobenzamide?
The InChIKey is QZORXXWBXJAPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O/c23-18-11-7-10-17(14-18)22(27)24-21-15-20(16-8-3-1-4-9-16)25-26(21)19-12-5-2-6-13-19/h1-15H,(H,24,27).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-3-fluorobenzamide?
N-(1,3-diphenylpyrazol-5-yl)-3-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)-3-fluorobenzamide is sourced from PubChem (CID 11451163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).