1-(2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone

C8H10N4O3 — CID 58043958

IUPAC1-(2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
SMILESCC(=O)N1CCn2nc([N+](=O)[O-])cc2C1
InChIInChI=1S/C8H10N4O3/c1-6(13)10-2-3-11-7(5-10)4-8(9-11)12(14)15/h4H,2-3,5H2,1H3
InChIKeyPUDTYWHXPVNAAK-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.15
Rot. Bonds1

About 1-(2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone

1-(2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone (PubChem CID 58043958) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-(2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
PubChem CID58043958
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name1-(2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
SMILESCC(=O)N1CCn2nc([N+](=O)[O-])cc2C1
InChIInChI=1S/C8H10N4O3/c1-6(13)10-2-3-11-7(5-10)4-8(9-11)12(14)15/h4H,2-3,5H2,1H3
InChIKeyPUDTYWHXPVNAAK-UHFFFAOYSA-N
XLogP0.15
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
The IUPAC name of 1-(2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone (CID 58043958) is 1-(2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone.
What is the SMILES notation for 1-(2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
The canonical SMILES for 1-(2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone is CC(=O)N1CCn2nc([N+](=O)[O-])cc2C1.
What is the InChIKey of 1-(2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
The InChIKey is PUDTYWHXPVNAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c1-6(13)10-2-3-11-7(5-10)4-8(9-11)12(14)15/h4H,2-3,5H2,1H3.
What are the key properties of 1-(2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
1-(2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone has a molecular weight of 210.19 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone is sourced from PubChem (CID 58043958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).