5-ethyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C8H12N4O2 — CID 58043925

IUPAC5-ethyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCCN1CCn2nc([N+](=O)[O-])cc2C1
InChIInChI=1S/C8H12N4O2/c1-2-10-3-4-11-7(6-10)5-8(9-11)12(13)14/h5H,2-4,6H2,1H3
InChIKeyCGWFXJWWAZHAIK-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.63
Rot. Bonds2

About 5-ethyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

5-ethyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 58043925) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-ethyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-ethyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID58043925
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name5-ethyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCCN1CCn2nc([N+](=O)[O-])cc2C1
InChIInChI=1S/C8H12N4O2/c1-2-10-3-4-11-7(6-10)5-8(9-11)12(13)14/h5H,2-4,6H2,1H3
InChIKeyCGWFXJWWAZHAIK-UHFFFAOYSA-N
XLogP0.63
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.63
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 5-ethyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-ethyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 58043925) is 5-ethyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-ethyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-ethyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is CCN1CCn2nc([N+](=O)[O-])cc2C1.
What is the InChIKey of 5-ethyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is CGWFXJWWAZHAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-2-10-3-4-11-7(6-10)5-8(9-11)12(13)14/h5H,2-4,6H2,1H3.
What are the key properties of 5-ethyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-ethyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 196.21 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 58043925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).