2-bromo-N-(1-phenylpyrazol-3-yl)benzamide

C16H12BrN3O — CID 5071220

IUPAC2-bromo-N-(1-phenylpyrazol-3-yl)benzamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)c1ccccc1Br
InChIInChI=1S/C16H12BrN3O/c17-14-9-5-4-8-13(14)16(21)18-15-10-11-20(19-15)12-6-2-1-3-7-12/h1-11H,(H,18,19,21)
InChIKeyJJASXFHMCRAQQD-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.89
Rot. Bonds3

About 2-bromo-N-(1-phenylpyrazol-3-yl)benzamide

2-bromo-N-(1-phenylpyrazol-3-yl)benzamide (PubChem CID 5071220) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 2-bromo-N-(1-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(1-phenylpyrazol-3-yl)benzamide
PubChem CID5071220
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC Name2-bromo-N-(1-phenylpyrazol-3-yl)benzamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)c1ccccc1Br
InChIInChI=1S/C16H12BrN3O/c17-14-9-5-4-8-13(14)16(21)18-15-10-11-20(19-15)12-6-2-1-3-7-12/h1-11H,(H,18,19,21)
InChIKeyJJASXFHMCRAQQD-UHFFFAOYSA-N
XLogP3.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 722799
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2-methyl-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
CID 134589079
(2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
CID 134589089
2-(2-fluorophenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 134589150
2,2-difluoro-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134589161
1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134589164
(2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)butanamide
CID 134596218
(2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
CID 134596221
1-(2-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 135315749
2,2-dimethyl-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 135315908
N-(1,4-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11566992

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 2-bromo-N-(1-phenylpyrazol-3-yl)benzamide (CID 5071220) is 2-bromo-N-(1-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(1-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-bromo-N-(1-phenylpyrazol-3-yl)benzamide is O=C(Nc1ccn(-c2ccccc2)n1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(1-phenylpyrazol-3-yl)benzamide?
The InChIKey is JJASXFHMCRAQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c17-14-9-5-4-8-13(14)16(21)18-15-10-11-20(19-15)12-6-2-1-3-7-12/h1-11H,(H,18,19,21).
What are the key properties of 2-bromo-N-(1-phenylpyrazol-3-yl)benzamide?
2-bromo-N-(1-phenylpyrazol-3-yl)benzamide has a molecular weight of 342.20 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 5071220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).