1-(2-ethylpyrazol-3-yl)nonan-1-one

C14H24N2O — CID 114972411

IUPAC1-(2-ethylpyrazol-3-yl)nonan-1-one
SMILESCCCCCCCCC(=O)c1ccnn1CC
InChIInChI=1S/C14H24N2O/c1-3-5-6-7-8-9-10-14(17)13-11-12-15-16(13)4-2/h11-12H,3-10H2,1-2H3
InChIKeyZRQKCFWNBFGRMH-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.84
Rot. Bonds9

About 1-(2-ethylpyrazol-3-yl)nonan-1-one

1-(2-ethylpyrazol-3-yl)nonan-1-one (PubChem CID 114972411) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)nonan-1-one.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)nonan-1-one
PubChem CID114972411
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(2-ethylpyrazol-3-yl)nonan-1-one
SMILESCCCCCCCCC(=O)c1ccnn1CC
InChIInChI=1S/C14H24N2O/c1-3-5-6-7-8-9-10-14(17)13-11-12-15-16(13)4-2/h11-12H,3-10H2,1-2H3
InChIKeyZRQKCFWNBFGRMH-UHFFFAOYSA-N
XLogP3.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)nonan-1-one?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)nonan-1-one (CID 114972411) is 1-(2-ethylpyrazol-3-yl)nonan-1-one.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)nonan-1-one?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)nonan-1-one is CCCCCCCCC(=O)c1ccnn1CC.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)nonan-1-one?
The InChIKey is ZRQKCFWNBFGRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-5-6-7-8-9-10-14(17)13-11-12-15-16(13)4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)nonan-1-one?
1-(2-ethylpyrazol-3-yl)nonan-1-one has a molecular weight of 236.36 g/mol, XLogP of 3.84, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)nonan-1-one is sourced from PubChem (CID 114972411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).