1-[2-[(E)-2-ethenylpent-2-enoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-ethoxyethanone

C17H25N3O3 — CID 144757819

IUPAC1-[2-[(E)-2-ethenylpent-2-enoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-ethoxyethanone
SMILESC=C/C(=C\CC)COc1cc2n(n1)CCN(C(=O)COCC)C2
InChIInChI=1S/C17H25N3O3/c1-4-7-14(5-2)12-23-16-10-15-11-19(8-9-20(15)18-16)17(21)13-22-6-3/h5,7,10H,2,4,6,8-9,11-13H2,1,3H3/b14-7+
InChIKeyLANSXUZJIOWDKY-VGOFMYFVSA-N
MW319.41 g/mol
LogP2.16
Rot. Bonds8

About 1-[2-[(E)-2-ethenylpent-2-enoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-ethoxyethanone

1-[2-[(E)-2-ethenylpent-2-enoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-ethoxyethanone (PubChem CID 144757819) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[2-[(E)-2-ethenylpent-2-enoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-ethoxyethanone.

Molecular Properties

Compound Name1-[2-[(E)-2-ethenylpent-2-enoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-ethoxyethanone
PubChem CID144757819
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name1-[2-[(E)-2-ethenylpent-2-enoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-ethoxyethanone
SMILESC=C/C(=C\CC)COc1cc2n(n1)CCN(C(=O)COCC)C2
InChIInChI=1S/C17H25N3O3/c1-4-7-14(5-2)12-23-16-10-15-11-19(8-9-20(15)18-16)17(21)13-22-6-3/h5,7,10H,2,4,6,8-9,11-13H2,1,3H3/b14-7+
InChIKeyLANSXUZJIOWDKY-VGOFMYFVSA-N
XLogP2.16
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-2-ethenylpent-2-enoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-ethoxyethanone?
The IUPAC name of 1-[2-[(E)-2-ethenylpent-2-enoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-ethoxyethanone (CID 144757819) is 1-[2-[(E)-2-ethenylpent-2-enoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-ethoxyethanone.
What is the SMILES notation for 1-[2-[(E)-2-ethenylpent-2-enoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-ethoxyethanone?
The canonical SMILES for 1-[2-[(E)-2-ethenylpent-2-enoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-ethoxyethanone is C=C/C(=C\CC)COc1cc2n(n1)CCN(C(=O)COCC)C2.
What is the InChIKey of 1-[2-[(E)-2-ethenylpent-2-enoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-ethoxyethanone?
The InChIKey is LANSXUZJIOWDKY-VGOFMYFVSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-4-7-14(5-2)12-23-16-10-15-11-19(8-9-20(15)18-16)17(21)13-22-6-3/h5,7,10H,2,4,6,8-9,11-13H2,1,3H3/b14-7+.
What are the key properties of 1-[2-[(E)-2-ethenylpent-2-enoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-ethoxyethanone?
1-[2-[(E)-2-ethenylpent-2-enoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-ethoxyethanone has a molecular weight of 319.41 g/mol, XLogP of 2.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-2-ethenylpent-2-enoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-ethoxyethanone is sourced from PubChem (CID 144757819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).