3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide

C16H12BrN3O — CID 35761421

IUPAC3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H12BrN3O/c17-13-4-1-3-12(11-13)16(21)19-14-5-7-15(8-6-14)20-10-2-9-18-20/h1-11H,(H,19,21)
InChIKeyMLTPKCOLYBLQKD-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.89
Rot. Bonds3

About 3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide

3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide (PubChem CID 35761421) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide
PubChem CID35761421
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC Name3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H12BrN3O/c17-13-4-1-3-12(11-13)16(21)19-14-5-7-15(8-6-14)20-10-2-9-18-20/h1-11H,(H,19,21)
InChIKeyMLTPKCOLYBLQKD-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

3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31923113
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
5-bromo-N-(4-pyrazol-1-ylphenyl)pyridine-2-carboxamide
CID 62955085
4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35275378
N-(4-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698189
3-bromo-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide
CID 41412794
3-bromo-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666688
N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide
CID 17426566
3-bromo-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide
CID 22777543
N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide
CID 71758813
N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide
CID 46813346

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide?
The IUPAC name of 3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide (CID 35761421) is 3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide?
The canonical SMILES for 3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide is O=C(Nc1ccc(-n2cccn2)cc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide?
The InChIKey is MLTPKCOLYBLQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c17-13-4-1-3-12(11-13)16(21)19-14-5-7-15(8-6-14)20-10-2-9-18-20/h1-11H,(H,19,21).
What are the key properties of 3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide?
3-bromo-N-(4-pyrazol-1-ylphenyl)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 3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide is sourced from PubChem (CID 35761421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).