3-[5-[(E)-but-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one

C17H26N4O2 — CID 70753258

IUPAC3-[5-[(E)-but-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one
SMILESC/C=C/CN1CCn2nc(CCC(=O)N3CCOCC3)cc2C1
InChIInChI=1S/C17H26N4O2/c1-2-3-6-19-7-8-21-16(14-19)13-15(18-21)4-5-17(22)20-9-11-23-12-10-20/h2-3,13H,4-12,14H2,1H3/b3-2+
InChIKeyKXPLVNPMSOHZQL-NSCUHMNNSA-N
MW318.42 g/mol
LogP1.07
Rot. Bonds5

About 3-[5-[(E)-but-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one

3-[5-[(E)-but-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 70753258) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[5-[(E)-but-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-[(E)-but-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID70753258
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name3-[5-[(E)-but-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one
SMILESC/C=C/CN1CCn2nc(CCC(=O)N3CCOCC3)cc2C1
InChIInChI=1S/C17H26N4O2/c1-2-3-6-19-7-8-21-16(14-19)13-15(18-21)4-5-17(22)20-9-11-23-12-10-20/h2-3,13H,4-12,14H2,1H3/b3-2+
InChIKeyKXPLVNPMSOHZQL-NSCUHMNNSA-N
XLogP1.07
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(E)-but-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[5-[(E)-but-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one (CID 70753258) is 3-[5-[(E)-but-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[5-[(E)-but-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[5-[(E)-but-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one is C/C=C/CN1CCn2nc(CCC(=O)N3CCOCC3)cc2C1.
What is the InChIKey of 3-[5-[(E)-but-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is KXPLVNPMSOHZQL-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-3-6-19-7-8-21-16(14-19)13-15(18-21)4-5-17(22)20-9-11-23-12-10-20/h2-3,13H,4-12,14H2,1H3/b3-2+.
What are the key properties of 3-[5-[(E)-but-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one?
3-[5-[(E)-but-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 318.42 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(E)-but-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 70753258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).