N-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide

C16H12FN3O — CID 95968194

IUPACN-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide
SMILESO=C(Nc1cccc(F)c1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C16H12FN3O/c17-13-5-2-6-14(11-13)19-16(21)12-4-1-7-15(10-12)20-9-3-8-18-20/h1-11H,(H,19,21)
InChIKeyIVPBJJPREMJMSH-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.26
Rot. Bonds3

About N-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide

N-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide (PubChem CID 95968194) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide
PubChem CID95968194
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC NameN-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide
SMILESO=C(Nc1cccc(F)c1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C16H12FN3O/c17-13-5-2-6-14(11-13)19-16(21)12-4-1-7-15(10-12)20-9-3-8-18-20/h1-11H,(H,19,21)
InChIKeyIVPBJJPREMJMSH-UHFFFAOYSA-N
XLogP3.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698188
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294
N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide
CID 16610347
N-(3-fluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
CID 16654238
N-(4-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698189
6-oxo-N-(3-pyrazol-1-ylphenyl)-1H-pyridine-3-carboxamide
CID 60779425
N-(3-pyrazol-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 28809956
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-3-pyrazol-1-ylbenzamide
CID 122297788
2-(cyclopropylamino)-N-(3-pyrazol-1-ylphenyl)pyridine-4-carboxamide
CID 167896972
3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35761421
N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide
CID 17426566

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide (CID 95968194) is N-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide is O=C(Nc1cccc(F)c1)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide?
The InChIKey is IVPBJJPREMJMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-13-5-2-6-14(11-13)19-16(21)12-4-1-7-15(10-12)20-9-3-8-18-20/h1-11H,(H,19,21).
What are the key properties of N-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide?
N-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide has a molecular weight of 281.29 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 95968194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).