1-[2-(4-bromopyrazol-1-yl)phenyl]ethanone

C11H9BrN2O — CID 61035945

IUPAC1-[2-(4-bromopyrazol-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccccc1-n1cc(Br)cn1
InChIInChI=1S/C11H9BrN2O/c1-8(15)10-4-2-3-5-11(10)14-7-9(12)6-13-14/h2-7H,1H3
InChIKeyQDNWKHCYLVQFKT-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.84
Rot. Bonds2

About 1-[2-(4-bromopyrazol-1-yl)phenyl]ethanone

1-[2-(4-bromopyrazol-1-yl)phenyl]ethanone (PubChem CID 61035945) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 1-[2-(4-bromopyrazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-bromopyrazol-1-yl)phenyl]ethanone
PubChem CID61035945
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name1-[2-(4-bromopyrazol-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccccc1-n1cc(Br)cn1
InChIInChI=1S/C11H9BrN2O/c1-8(15)10-4-2-3-5-11(10)14-7-9(12)6-13-14/h2-7H,1H3
InChIKeyQDNWKHCYLVQFKT-UHFFFAOYSA-N
XLogP2.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromopyrazol-1-yl)-5-nitrophenyl]ethanone
CID 62873582
ethyl 1-(2-acetylphenyl)pyrazole-4-carboxylate
CID 81499002
1-[4-bromo-2-(4-chloropyrazol-1-yl)phenyl]ethanone
CID 82966831
2-(4-bromopyrazol-1-yl)-5-methylbenzenecarbothioamide
CID 107929433
2-(4-bromopyrazol-1-yl)quinoline-4-carboxylic acid
CID 54909506
(2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide
CID 95162014
N-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55764988
methyl 2-(4-aminopyrazol-1-yl)benzoate
CID 131512401
(4-bromopyrazol-1-yl)-(2-methylphenyl)methanone
CID 674650
1-(2-indazol-1-ylphenyl)ethanone
CID 15712135
3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 55764806
1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365533

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromopyrazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-(4-bromopyrazol-1-yl)phenyl]ethanone (CID 61035945) is 1-[2-(4-bromopyrazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(4-bromopyrazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-(4-bromopyrazol-1-yl)phenyl]ethanone is CC(=O)c1ccccc1-n1cc(Br)cn1.
What is the InChIKey of 1-[2-(4-bromopyrazol-1-yl)phenyl]ethanone?
The InChIKey is QDNWKHCYLVQFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c1-8(15)10-4-2-3-5-11(10)14-7-9(12)6-13-14/h2-7H,1H3.
What are the key properties of 1-[2-(4-bromopyrazol-1-yl)phenyl]ethanone?
1-[2-(4-bromopyrazol-1-yl)phenyl]ethanone has a molecular weight of 265.11 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromopyrazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 61035945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).