N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide

C16H12FN3O — CID 140931669

IUPACN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
SMILESO=C(Nc1cc(-c2ccc(F)cc2)[nH]n1)c1ccccc1
InChIInChI=1S/C16H12FN3O/c17-13-8-6-11(7-9-13)14-10-15(20-19-14)18-16(21)12-4-2-1-3-5-12/h1-10H,(H2,18,19,20,21)
InChIKeyIINACWFZHJROBE-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.47
Rot. Bonds3

About N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide

N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide (PubChem CID 140931669) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
PubChem CID140931669
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC NameN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
SMILESO=C(Nc1cc(-c2ccc(F)cc2)[nH]n1)c1ccccc1
InChIInChI=1S/C16H12FN3O/c17-13-8-6-11(7-9-13)14-10-15(20-19-14)18-16(21)12-4-2-1-3-5-12/h1-10H,(H2,18,19,20,21)
InChIKeyIINACWFZHJROBE-UHFFFAOYSA-N
XLogP3.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 110472399
4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 5330996
3-(2,3-dihydroindol-1-ylsulfinyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 139505966
N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)benzamide
CID 71579986
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 66762821
N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide
CID 35532209
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-methyl-1H-pyrazole-3-carboxamide;formic acid
CID 163341612
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
1-N,3-N-bis(5-pyridin-2-yl-1H-pyrazol-3-yl)benzene-1,3-dicarboxamide
CID 102492957
N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide
CID 167971745
3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
CID 95753070
3-(4-fluorophenyl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-2,1-benzoxazole-5-carboxamide
CID 154806744

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide (CID 140931669) is N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide is O=C(Nc1cc(-c2ccc(F)cc2)[nH]n1)c1ccccc1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is IINACWFZHJROBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-13-8-6-11(7-9-13)14-10-15(20-19-14)18-16(21)12-4-2-1-3-5-12/h1-10H,(H2,18,19,20,21).
What are the key properties of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide?
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 281.29 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 140931669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).