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

C17H12Br2FN3O — CID 19347171

IUPAC2-bromo-N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(F)cc2)cc1Br)c1ccccc1Br
InChIInChI=1S/C17H12Br2FN3O/c18-14-4-2-1-3-13(14)17(24)21-16-15(19)10-23(22-16)9-11-5-7-12(20)8-6-11/h1-8,10H,9H2,(H,21,22,24)
InChIKeyYNROTKPUGDUGKI-UHFFFAOYSA-N
MW453.11 g/mol
LogP4.85
Rot. Bonds4

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

2-bromo-N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19347171) has the molecular formula C17H12Br2FN3O and a molecular weight of 453.11 g/mol. Its IUPAC name is 2-bromo-N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19347171
Molecular FormulaC17H12Br2FN3O
Molecular Weight453.11 g/mol
Exact Mass450.93
IUPAC Name2-bromo-N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(F)cc2)cc1Br)c1ccccc1Br
InChIInChI=1S/C17H12Br2FN3O/c18-14-4-2-1-3-13(14)17(24)21-16-15(19)10-23(22-16)9-11-5-7-12(20)8-6-11/h1-8,10H,9H2,(H,21,22,24)
InChIKeyYNROTKPUGDUGKI-UHFFFAOYSA-N
XLogP4.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.11
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19284205
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide
CID 11154069
2-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19287025
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methyl-3-nitrobenzamide
CID 19347160
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2,2-diphenylacetamide
CID 35274674
3-[[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498244
4-[[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496249
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-iodobenzamide
CID 19409059
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide
CID 19347230
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
CID 19347187
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide
CID 19287185
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19347185

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-bromo-N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide (CID 19347171) is 2-bromo-N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-bromo-N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1nn(Cc2ccc(F)cc2)cc1Br)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is YNROTKPUGDUGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2FN3O/c18-14-4-2-1-3-13(14)17(24)21-16-15(19)10-23(22-16)9-11-5-7-12(20)8-6-11/h1-8,10H,9H2,(H,21,22,24).
What are the key properties of 2-bromo-N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
2-bromo-N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 453.11 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19347171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).