6-amino-1-(1-ethylpyrazol-4-yl)hexan-1-one

C11H19N3O — CID 116549892

IUPAC6-amino-1-(1-ethylpyrazol-4-yl)hexan-1-one
SMILESCCn1cc(C(=O)CCCCCN)cn1
InChIInChI=1S/C11H19N3O/c1-2-14-9-10(8-13-14)11(15)6-4-3-5-7-12/h8-9H,2-7,12H2,1H3
InChIKeyPIVNZZSPUGOBIO-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.60
Rot. Bonds7

About 6-amino-1-(1-ethylpyrazol-4-yl)hexan-1-one

6-amino-1-(1-ethylpyrazol-4-yl)hexan-1-one (PubChem CID 116549892) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-amino-1-(1-ethylpyrazol-4-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-1-(1-ethylpyrazol-4-yl)hexan-1-one
PubChem CID116549892
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name6-amino-1-(1-ethylpyrazol-4-yl)hexan-1-one
SMILESCCn1cc(C(=O)CCCCCN)cn1
InChIInChI=1S/C11H19N3O/c1-2-14-9-10(8-13-14)11(15)6-4-3-5-7-12/h8-9H,2-7,12H2,1H3
InChIKeyPIVNZZSPUGOBIO-UHFFFAOYSA-N
XLogP1.60
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-propylpyrazol-4-yl)dodecan-1-one
CID 114963871
1-(1-propylpyrazol-4-yl)hexan-1-one
CID 114963851
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-1-one
CID 63891496
4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one
CID 116555498
3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one
CID 114964350
4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572838
3-amino-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-one
CID 116564365
4-(2-aminoethyl)-5-methyl-1-(1-propylpyrazol-4-yl)hexan-1-one
CID 116577813
ethyl 4-oxo-4-(1-propylpyrazol-4-yl)butanoate
CID 103572842
4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922
3-amino-1-(1-methylpyrazol-4-yl)propan-1-one
CID 82416925

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(1-ethylpyrazol-4-yl)hexan-1-one?
The IUPAC name of 6-amino-1-(1-ethylpyrazol-4-yl)hexan-1-one (CID 116549892) is 6-amino-1-(1-ethylpyrazol-4-yl)hexan-1-one.
What is the SMILES notation for 6-amino-1-(1-ethylpyrazol-4-yl)hexan-1-one?
The canonical SMILES for 6-amino-1-(1-ethylpyrazol-4-yl)hexan-1-one is CCn1cc(C(=O)CCCCCN)cn1.
What is the InChIKey of 6-amino-1-(1-ethylpyrazol-4-yl)hexan-1-one?
The InChIKey is PIVNZZSPUGOBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-14-9-10(8-13-14)11(15)6-4-3-5-7-12/h8-9H,2-7,12H2,1H3.
What are the key properties of 6-amino-1-(1-ethylpyrazol-4-yl)hexan-1-one?
6-amino-1-(1-ethylpyrazol-4-yl)hexan-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(1-ethylpyrazol-4-yl)hexan-1-one is sourced from PubChem (CID 116549892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).