N-(2-benzylpyrazol-3-yl)-2-bromo-5-methoxybenzamide

C18H16BrN3O2 — CID 9116244

IUPACN-(2-benzylpyrazol-3-yl)-2-bromo-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccnn2Cc2ccccc2)c1
InChIInChI=1S/C18H16BrN3O2/c1-24-14-7-8-16(19)15(11-14)18(23)21-17-9-10-20-22(17)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,21,23)
InChIKeyPFVLIHIAFMBFLK-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.95
Rot. Bonds5

About N-(2-benzylpyrazol-3-yl)-2-bromo-5-methoxybenzamide

N-(2-benzylpyrazol-3-yl)-2-bromo-5-methoxybenzamide (PubChem CID 9116244) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-2-bromo-5-methoxybenzamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-2-bromo-5-methoxybenzamide
PubChem CID9116244
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-(2-benzylpyrazol-3-yl)-2-bromo-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccnn2Cc2ccccc2)c1
InChIInChI=1S/C18H16BrN3O2/c1-24-14-7-8-16(19)15(11-14)18(23)21-17-9-10-20-22(17)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,21,23)
InChIKeyPFVLIHIAFMBFLK-UHFFFAOYSA-N
XLogP3.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methoxybenzamide
CID 46632512
2-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]benzamide
CID 27832017
N-(2-benzylpyrazol-3-yl)-2-iodobenzamide
CID 55359617
N-(2-benzylpyrazol-3-yl)-2-phenoxypyridine-3-carboxamide
CID 8890850
N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide
CID 7589903
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760
2-bromo-5-methoxy-N-phenylmethoxybenzamide
CID 41248162
2-bromo-N-(2,6-dichlorophenyl)-5-methoxybenzamide
CID 60629817
N-(2-benzyl-5-methylpyrazol-3-yl)-2-fluoro-4-methoxybenzamide
CID 86922182
1-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenyl)urea
CID 2544645
2-(2-methoxyphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 42535302
N-(2-benzylpyrazol-3-yl)-4-iodobenzamide
CID 55359598

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-2-bromo-5-methoxybenzamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-2-bromo-5-methoxybenzamide (CID 9116244) is N-(2-benzylpyrazol-3-yl)-2-bromo-5-methoxybenzamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-2-bromo-5-methoxybenzamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-2-bromo-5-methoxybenzamide is COc1ccc(Br)c(C(=O)Nc2ccnn2Cc2ccccc2)c1.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-2-bromo-5-methoxybenzamide?
The InChIKey is PFVLIHIAFMBFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-24-14-7-8-16(19)15(11-14)18(23)21-17-9-10-20-22(17)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of N-(2-benzylpyrazol-3-yl)-2-bromo-5-methoxybenzamide?
N-(2-benzylpyrazol-3-yl)-2-bromo-5-methoxybenzamide has a molecular weight of 386.25 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrazol-3-yl)-2-bromo-5-methoxybenzamide is sourced from PubChem (CID 9116244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).