1-(1-aminocyclopropyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone

C11H16BrN3O — CID 116576526

IUPAC1-(1-aminocyclopropyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone
SMILESCCn1nc(C)c(Br)c1CC(=O)C1(N)CC1
InChIInChI=1S/C11H16BrN3O/c1-3-15-8(10(12)7(2)14-15)6-9(16)11(13)4-5-11/h3-6,13H2,1-2H3
InChIKeyMHGVFRXVCLMLHP-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.58
Rot. Bonds4

About 1-(1-aminocyclopropyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone

1-(1-aminocyclopropyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone (PubChem CID 116576526) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 1-(1-aminocyclopropyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclopropyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone
PubChem CID116576526
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name1-(1-aminocyclopropyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone
SMILESCCn1nc(C)c(Br)c1CC(=O)C1(N)CC1
InChIInChI=1S/C11H16BrN3O/c1-3-15-8(10(12)7(2)14-15)6-9(16)11(13)4-5-11/h3-6,13H2,1-2H3
InChIKeyMHGVFRXVCLMLHP-UHFFFAOYSA-N
XLogP1.58
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
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2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,2-dimethylcyclohexyl)ethanone
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3-amino-1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-one
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1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)undecan-2-one
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1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-one
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2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]thiolane-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopropyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone?
The IUPAC name of 1-(1-aminocyclopropyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone (CID 116576526) is 1-(1-aminocyclopropyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(1-aminocyclopropyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-(1-aminocyclopropyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone is CCn1nc(C)c(Br)c1CC(=O)C1(N)CC1.
What is the InChIKey of 1-(1-aminocyclopropyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone?
The InChIKey is MHGVFRXVCLMLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-3-15-8(10(12)7(2)14-15)6-9(16)11(13)4-5-11/h3-6,13H2,1-2H3.
What are the key properties of 1-(1-aminocyclopropyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone?
1-(1-aminocyclopropyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone has a molecular weight of 286.17 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopropyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone is sourced from PubChem (CID 116576526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).