1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]propan-1-one

C14H24N2O2 — CID 82697993

IUPAC1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]propan-1-one
SMILESCCOCCn1nc(CC)c(C(=O)CC)c1CC
InChIInChI=1S/C14H24N2O2/c1-5-11-14(13(17)7-3)12(6-2)16(15-11)9-10-18-8-4/h5-10H2,1-4H3
InChIKeyTZUNEGDZBNNJPG-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.64
Rot. Bonds8

About 1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]propan-1-one

1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]propan-1-one (PubChem CID 82697993) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]propan-1-one
PubChem CID82697993
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]propan-1-one
SMILESCCOCCn1nc(CC)c(C(=O)CC)c1CC
InChIInChI=1S/C14H24N2O2/c1-5-11-14(13(17)7-3)12(6-2)16(15-11)9-10-18-8-4/h5-10H2,1-4H3
InChIKeyTZUNEGDZBNNJPG-UHFFFAOYSA-N
XLogP2.64
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3,5-diethyl-1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]propan-1-one
CID 82699731
1-[3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]ethanone
CID 82697422
1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)propan-1-one
CID 82698096
1-[3,5-diethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-one
CID 82699624
3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-nitrosopyrazole
CID 122632892
2-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]ethanamine
CID 82699797
3,5-diethyl-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine
CID 82702606
1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 82700734
3,5-diethyl-1-(2-propoxyethyl)pyrazole-4-carbaldehyde
CID 106457360
3,5-diethyl-1-(2-propoxyethyl)pyrazol-4-amine
CID 106452722
1-(2-butoxyethyl)-3,5-diethylpyrazol-4-amine
CID 82702120
2,2,2-trifluoro-1-(1,3,5-triethylpyrazol-4-yl)ethanone
CID 82697995

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]propan-1-one?
The IUPAC name of 1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]propan-1-one (CID 82697993) is 1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]propan-1-one.
What is the SMILES notation for 1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]propan-1-one?
The canonical SMILES for 1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]propan-1-one is CCOCCn1nc(CC)c(C(=O)CC)c1CC.
What is the InChIKey of 1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]propan-1-one?
The InChIKey is TZUNEGDZBNNJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-11-14(13(17)7-3)12(6-2)16(15-11)9-10-18-8-4/h5-10H2,1-4H3.
What are the key properties of 1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]propan-1-one?
1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]propan-1-one has a molecular weight of 252.36 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]propan-1-one is sourced from PubChem (CID 82697993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).