4-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide

C17H12Br2ClN3O — CID 19286996

IUPAC4-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccccc2Cl)cc1Br)c1ccc(Br)cc1
InChIInChI=1S/C17H12Br2ClN3O/c18-13-7-5-11(6-8-13)17(24)21-16-14(19)10-23(22-16)9-12-3-1-2-4-15(12)20/h1-8,10H,9H2,(H,21,22,24)
InChIKeyKNUPCJLHUDGFOX-UHFFFAOYSA-N
MW469.56 g/mol
LogP5.36
Rot. Bonds4

About 4-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide

4-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19286996) has the molecular formula C17H12Br2ClN3O and a molecular weight of 469.56 g/mol. Its IUPAC name is 4-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19286996
Molecular FormulaC17H12Br2ClN3O
Molecular Weight469.56 g/mol
Exact Mass466.90
IUPAC Name4-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccccc2Cl)cc1Br)c1ccc(Br)cc1
InChIInChI=1S/C17H12Br2ClN3O/c18-13-7-5-11(6-8-13)17(24)21-16-14(19)10-23(22-16)9-12-3-1-2-4-15(12)20/h1-8,10H,9H2,(H,21,22,24)
InChIKeyKNUPCJLHUDGFOX-UHFFFAOYSA-N
XLogP5.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.56
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide
CID 19287185
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-ethylbenzamide
CID 19287145
2-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19287025
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19287198
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19287124
4-bromo-N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19345019
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide
CID 19287018
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19287180
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-chloro-1H-pyrazole-5-carboxamide
CID 19479317
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide
CID 19287096
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19286999
4-[(4-bromo-2-chlorophenoxy)methyl]-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19344925

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide (CID 19286996) is 4-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1nn(Cc2ccccc2Cl)cc1Br)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is KNUPCJLHUDGFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2ClN3O/c18-13-7-5-11(6-8-13)17(24)21-16-14(19)10-23(22-16)9-12-3-1-2-4-15(12)20/h1-8,10H,9H2,(H,21,22,24).
What are the key properties of 4-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
4-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 469.56 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19286996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).