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

C9H14N4O3 — CID 86683990

IUPAC5-(2-methoxyethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCOCCN1CCn2nc([N+](=O)[O-])cc2C1
InChIInChI=1S/C9H14N4O3/c1-16-5-4-11-2-3-12-8(7-11)6-9(10-12)13(14)15/h6H,2-5,7H2,1H3
InChIKeyZICZDPWZOKKOFS-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.25
Rot. Bonds4

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

5-(2-methoxyethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 86683990) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-(2-methoxyethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID86683990
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name5-(2-methoxyethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCOCCN1CCn2nc([N+](=O)[O-])cc2C1
InChIInChI=1S/C9H14N4O3/c1-16-5-4-11-2-3-12-8(7-11)6-9(10-12)13(14)15/h6H,2-5,7H2,1H3
InChIKeyZICZDPWZOKKOFS-UHFFFAOYSA-N
XLogP0.25
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(2-methoxyethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-(2-methoxyethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 86683990) is 5-(2-methoxyethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-(2-methoxyethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-(2-methoxyethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is COCCN1CCn2nc([N+](=O)[O-])cc2C1.
What is the InChIKey of 5-(2-methoxyethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is ZICZDPWZOKKOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-16-5-4-11-2-3-12-8(7-11)6-9(10-12)13(14)15/h6H,2-5,7H2,1H3.
What are the key properties of 5-(2-methoxyethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-(2-methoxyethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 226.24 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 86683990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).