1-(5-amino-1-methylpyrazol-4-yl)-2-(5-bromo-2-pyridinyl)ethanone

C11H11BrN4O — CID 104799005

IUPAC1-(5-amino-1-methylpyrazol-4-yl)-2-(5-bromo-2-pyridinyl)ethanone
SMILESCn1ncc(C(=O)Cc2ccc(Br)cn2)c1N
InChIInChI=1S/C11H11BrN4O/c1-16-11(13)9(6-15-16)10(17)4-8-3-2-7(12)5-14-8/h2-3,5-6H,4,13H2,1H3
InChIKeyDFPPBNBHZHHQHW-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.59
Rot. Bonds3

About 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-bromo-2-pyridinyl)ethanone

1-(5-amino-1-methylpyrazol-4-yl)-2-(5-bromo-2-pyridinyl)ethanone (PubChem CID 104799005) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-bromo-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(5-amino-1-methylpyrazol-4-yl)-2-(5-bromo-2-pyridinyl)ethanone
PubChem CID104799005
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name1-(5-amino-1-methylpyrazol-4-yl)-2-(5-bromo-2-pyridinyl)ethanone
SMILESCn1ncc(C(=O)Cc2ccc(Br)cn2)c1N
InChIInChI=1S/C11H11BrN4O/c1-16-11(13)9(6-15-16)10(17)4-8-3-2-7(12)5-14-8/h2-3,5-6H,4,13H2,1H3
InChIKeyDFPPBNBHZHHQHW-UHFFFAOYSA-N
XLogP1.59
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-amino-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanone
CID 116602703
5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide
CID 80504044
1-(5-amino-1-methylpyrazol-4-yl)-2-(3,4-difluorophenyl)ethanone
CID 82919912
1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanone
CID 65360640
2-(5-bromo-2-pyridinyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanone
CID 114255296
1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007545
2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone
CID 104798897
1-(5-amino-1-methylpyrazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744377
3-(4-aminophenyl)-1-(5-bromo-2-pyridinyl)-3-methylbutan-2-one
CID 116598836
1-(5-bromo-2-pyridinyl)-3-methylsulfonylpropan-2-one
CID 115800953
1-(3-amino-4-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanone
CID 116552353
2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone
CID 105128796

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-bromo-2-pyridinyl)ethanone?
The IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-bromo-2-pyridinyl)ethanone (CID 104799005) is 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-bromo-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-bromo-2-pyridinyl)ethanone?
The canonical SMILES for 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-bromo-2-pyridinyl)ethanone is Cn1ncc(C(=O)Cc2ccc(Br)cn2)c1N.
What is the InChIKey of 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-bromo-2-pyridinyl)ethanone?
The InChIKey is DFPPBNBHZHHQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-16-11(13)9(6-15-16)10(17)4-8-3-2-7(12)5-14-8/h2-3,5-6H,4,13H2,1H3.
What are the key properties of 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-bromo-2-pyridinyl)ethanone?
1-(5-amino-1-methylpyrazol-4-yl)-2-(5-bromo-2-pyridinyl)ethanone has a molecular weight of 295.14 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-methylpyrazol-4-yl)-2-(5-bromo-2-pyridinyl)ethanone is sourced from PubChem (CID 104799005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).