2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide

C18H16BrN3O — CID 51132204

IUPAC2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1ccn(-c2ccccc2)n1)c1ccccc1Br
InChIInChI=1S/C18H16BrN3O/c19-17-9-5-4-8-16(17)18(23)20-12-10-14-11-13-22(21-14)15-6-2-1-3-7-15/h1-9,11,13H,10,12H2,(H,20,23)
InChIKeyKVSLELNWCSEXFS-UHFFFAOYSA-N
MW370.25 g/mol
LogP3.61
Rot. Bonds5

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

2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide (PubChem CID 51132204) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is 2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
PubChem CID51132204
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC Name2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1ccn(-c2ccccc2)n1)c1ccccc1Br
InChIInChI=1S/C18H16BrN3O/c19-17-9-5-4-8-16(17)18(23)20-12-10-14-11-13-22(21-14)15-6-2-1-3-7-15/h1-9,11,13H,10,12H2,(H,20,23)
InChIKeyKVSLELNWCSEXFS-UHFFFAOYSA-N
XLogP3.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51105926
2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 146128761
3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122234
3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146126708
3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122229
4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide
CID 51105933
3-methyl-5-(methylamino)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-1,2-thiazole-4-carboxamide
CID 51106857
2-(1H-indol-3-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]acetamide
CID 51105936
N-[2-(1-phenylpyrazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120929723
2-bromo-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716239
2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide
CID 146128415
(3S)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97213413

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide (CID 51132204) is 2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide is O=C(NCCc1ccn(-c2ccccc2)n1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is KVSLELNWCSEXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O/c19-17-9-5-4-8-16(17)18(23)20-12-10-14-11-13-22(21-14)15-6-2-1-3-7-15/h1-9,11,13H,10,12H2,(H,20,23).
What are the key properties of 2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide?
2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide has a molecular weight of 370.25 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 51132204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).