1-[2-(3-methoxypropyl)pyrazol-3-yl]-2-propylpentan-1-one

C15H26N2O2 — CID 114278097

IUPAC1-[2-(3-methoxypropyl)pyrazol-3-yl]-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1ccnn1CCCOC
InChIInChI=1S/C15H26N2O2/c1-4-7-13(8-5-2)15(18)14-9-10-16-17(14)11-6-12-19-3/h9-10,13H,4-8,11-12H2,1-3H3
InChIKeyWAFLGJYKODOKKP-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.32
Rot. Bonds10

About 1-[2-(3-methoxypropyl)pyrazol-3-yl]-2-propylpentan-1-one

1-[2-(3-methoxypropyl)pyrazol-3-yl]-2-propylpentan-1-one (PubChem CID 114278097) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[2-(3-methoxypropyl)pyrazol-3-yl]-2-propylpentan-1-one.

Molecular Properties

Compound Name1-[2-(3-methoxypropyl)pyrazol-3-yl]-2-propylpentan-1-one
PubChem CID114278097
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[2-(3-methoxypropyl)pyrazol-3-yl]-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1ccnn1CCCOC
InChIInChI=1S/C15H26N2O2/c1-4-7-13(8-5-2)15(18)14-9-10-16-17(14)11-6-12-19-3/h9-10,13H,4-8,11-12H2,1-3H3
InChIKeyWAFLGJYKODOKKP-UHFFFAOYSA-N
XLogP3.32
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.32
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropyl)pyrazol-3-yl]-2-propylpentan-1-one?
The IUPAC name of 1-[2-(3-methoxypropyl)pyrazol-3-yl]-2-propylpentan-1-one (CID 114278097) is 1-[2-(3-methoxypropyl)pyrazol-3-yl]-2-propylpentan-1-one.
What is the SMILES notation for 1-[2-(3-methoxypropyl)pyrazol-3-yl]-2-propylpentan-1-one?
The canonical SMILES for 1-[2-(3-methoxypropyl)pyrazol-3-yl]-2-propylpentan-1-one is CCCC(CCC)C(=O)c1ccnn1CCCOC.
What is the InChIKey of 1-[2-(3-methoxypropyl)pyrazol-3-yl]-2-propylpentan-1-one?
The InChIKey is WAFLGJYKODOKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-7-13(8-5-2)15(18)14-9-10-16-17(14)11-6-12-19-3/h9-10,13H,4-8,11-12H2,1-3H3.
What are the key properties of 1-[2-(3-methoxypropyl)pyrazol-3-yl]-2-propylpentan-1-one?
1-[2-(3-methoxypropyl)pyrazol-3-yl]-2-propylpentan-1-one has a molecular weight of 266.38 g/mol, XLogP of 3.32, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropyl)pyrazol-3-yl]-2-propylpentan-1-one is sourced from PubChem (CID 114278097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).