2-(4-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone

C14H14Br2N2O — CID 114638949

IUPAC2-(4-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone
SMILESCCCn1ncc(Br)c1C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H14Br2N2O/c1-2-7-18-14(12(16)9-17-18)13(19)8-10-3-5-11(15)6-4-10/h3-6,9H,2,7-8H2,1H3
InChIKeyNPUKBZVUZQXIGM-UHFFFAOYSA-N
MW386.09 g/mol
LogP4.24
Rot. Bonds5

About 2-(4-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone

2-(4-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone (PubChem CID 114638949) has the molecular formula C14H14Br2N2O and a molecular weight of 386.09 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone
PubChem CID114638949
Molecular FormulaC14H14Br2N2O
Molecular Weight386.09 g/mol
Exact Mass383.95
IUPAC Name2-(4-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone
SMILESCCCn1ncc(Br)c1C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H14Br2N2O/c1-2-7-18-14(12(16)9-17-18)13(19)8-10-3-5-11(15)6-4-10/h3-6,9H,2,7-8H2,1H3
InChIKeyNPUKBZVUZQXIGM-UHFFFAOYSA-N
XLogP4.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.09
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfanyl-1-(4-bromo-1-propylpyrazol-5-yl)ethanone
CID 114640903
1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone
CID 114641322
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-phenylethanone
CID 114638945
1-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-one
CID 114642443
1-(4-bromo-1-propylpyrazol-5-yl)-2-(ethylamino)ethanone
CID 114668844
1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone
CID 103543836
3-amino-1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-one
CID 114671080
2-anilino-1-(4-bromo-1-propylpyrazol-5-yl)ethanone
CID 114668471
(4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 115804548
(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114894379
1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylethanone
CID 114638939
1-(4-bromo-1-propylpyrazol-5-yl)-3-(tert-butylamino)propan-1-one
CID 114668606

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone (CID 114638949) is 2-(4-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone is CCCn1ncc(Br)c1C(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone?
The InChIKey is NPUKBZVUZQXIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O/c1-2-7-18-14(12(16)9-17-18)13(19)8-10-3-5-11(15)6-4-10/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone?
2-(4-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone has a molecular weight of 386.09 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone is sourced from PubChem (CID 114638949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).