2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide

C11H11Br2N5O2 — CID 39030403

IUPAC2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ncc(Br)c(Br)c2=O)n(C)n1
InChIInChI=1S/C11H11Br2N5O2/c1-6-3-8(17(2)16-6)15-9(19)5-18-11(20)10(13)7(12)4-14-18/h3-4H,5H2,1-2H3,(H,15,19)
InChIKeyQVIRVAOBDRJIDJ-UHFFFAOYSA-N
MW405.05 g/mol
LogP1.45
Rot. Bonds3

About 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 39030403) has the molecular formula C11H11Br2N5O2 and a molecular weight of 405.05 g/mol. Its IUPAC name is 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID39030403
Molecular FormulaC11H11Br2N5O2
Molecular Weight405.05 g/mol
Exact Mass402.93
IUPAC Name2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ncc(Br)c(Br)c2=O)n(C)n1
InChIInChI=1S/C11H11Br2N5O2/c1-6-3-8(17(2)16-6)15-9(19)5-18-11(20)10(13)7(12)4-14-18/h3-4H,5H2,1-2H3,(H,15,19)
InChIKeyQVIRVAOBDRJIDJ-UHFFFAOYSA-N
XLogP1.45
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.05
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 45814651
N-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-(2-oxopiperazin-1-yl)acetamide
CID 90256814
N-(2,5-dimethylpyrazol-3-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 36142051
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 36799947
N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 36800023
2-(diethylamino)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36802067
N-(2,5-dimethylpyrazol-3-yl)-2-pyrrolidin-1-ylacetamide
CID 53525922
3-(5-bromo-2-oxo-1-pyridinyl)-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 72016124
N-[2-({[(1-sec-butyl-3-methyl-1H-pyrazol-5-yl)amino]carbonyl}amino)ethyl]acetamide
CID 72909525
N'-[(2S)-3,3-dimethylbutan-2-yl]-N-(2,5-dimethylpyrazol-3-yl)oxamide
CID 99598504
N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-oxo-1-pyridinyl)acetamide
CID 99831506
2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide
CID 138012257

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 39030403) is 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2ncc(Br)c(Br)c2=O)n(C)n1.
What is the InChIKey of 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is QVIRVAOBDRJIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N5O2/c1-6-3-8(17(2)16-6)15-9(19)5-18-11(20)10(13)7(12)4-14-18/h3-4H,5H2,1-2H3,(H,15,19).
What are the key properties of 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 405.05 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 39030403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).