5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one

C12H21N3O — CID 116571684

IUPAC5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one
SMILESCCc1cc(CC(=O)CCC(C)N)n(C)n1
InChIInChI=1S/C12H21N3O/c1-4-10-7-11(15(3)14-10)8-12(16)6-5-9(2)13/h7,9H,4-6,8,13H2,1-3H3
InChIKeyZUIAIBDCXPMBRT-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.22
Rot. Bonds6

About 5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one

5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one (PubChem CID 116571684) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one.

Molecular Properties

Compound Name5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one
PubChem CID116571684
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one
SMILESCCc1cc(CC(=O)CCC(C)N)n(C)n1
InChIInChI=1S/C12H21N3O/c1-4-10-7-11(15(3)14-10)8-12(16)6-5-9(2)13/h7,9H,4-6,8,13H2,1-3H3
InChIKeyZUIAIBDCXPMBRT-UHFFFAOYSA-N
XLogP1.22
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one
CID 106677524
4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one
CID 116566741
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588612
1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-3-ylbutan-2-one
CID 105109905
4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one
CID 116573647
4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116550797
1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one
CID 114980926
(2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride
CID 130685991
1-(3-amino-4-methylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116550975
1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116601864
1-(3,4-dichlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 81491473

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one?
The IUPAC name of 5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one (CID 116571684) is 5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one.
What is the SMILES notation for 5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one?
The canonical SMILES for 5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one is CCc1cc(CC(=O)CCC(C)N)n(C)n1.
What is the InChIKey of 5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one?
The InChIKey is ZUIAIBDCXPMBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-10-7-11(15(3)14-10)8-12(16)6-5-9(2)13/h7,9H,4-6,8,13H2,1-3H3.
What are the key properties of 5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one?
5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one is sourced from PubChem (CID 116571684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).