4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide

C16H12BrN3O — CID 5330996

IUPAC4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)[nH]n1)c1ccc(Br)cc1
InChIInChI=1S/C16H12BrN3O/c17-13-8-6-12(7-9-13)16(21)18-15-10-14(19-20-15)11-4-2-1-3-5-11/h1-10H,(H2,18,19,20,21)
InChIKeyUPHNFFTWGGYNIM-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.09
Rot. Bonds3

About 4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide

4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide (PubChem CID 5330996) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
PubChem CID5330996
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC Name4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)[nH]n1)c1ccc(Br)cc1
InChIInChI=1S/C16H12BrN3O/c17-13-8-6-12(7-9-13)16(21)18-15-10-14(19-20-15)11-4-2-1-3-5-11/h1-10H,(H2,18,19,20,21)
InChIKeyUPHNFFTWGGYNIM-UHFFFAOYSA-N
XLogP4.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 140931669
3-hydroxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 110472399
N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide
CID 35532209
4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 5330993
6-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 118716976
N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)benzamide
CID 71579986
4-bromo-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide
CID 53196047
4-bromo-N-[5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1H-pyrazol-3-yl]benzamide
CID 5101007
N-[(1R)-1-(4-bromophenyl)ethyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 93017305
N-(5-phenyl-1H-pyrazol-3-yl)butanamide
CID 110868179
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
4-bromo-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
CID 110868084

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide (CID 5330996) is 4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide is O=C(Nc1cc(-c2ccccc2)[nH]n1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is UPHNFFTWGGYNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c17-13-8-6-12(7-9-13)16(21)18-15-10-14(19-20-15)11-4-2-1-3-5-11/h1-10H,(H2,18,19,20,21).
What are the key properties of 4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide?
4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 342.20 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 5330996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).