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

C7H10N4O2 — CID 58044024

IUPAC5-methyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCN1CCn2nc([N+](=O)[O-])cc2C1
InChIInChI=1S/C7H10N4O2/c1-9-2-3-10-6(5-9)4-7(8-10)11(12)13/h4H,2-3,5H2,1H3
InChIKeyOELUSZMWYFSUSY-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.24
Rot. Bonds1

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

5-methyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 58044024) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-methyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-methyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID58044024
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name5-methyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCN1CCn2nc([N+](=O)[O-])cc2C1
InChIInChI=1S/C7H10N4O2/c1-9-2-3-10-6(5-9)4-7(8-10)11(12)13/h4H,2-3,5H2,1H3
InChIKeyOELUSZMWYFSUSY-UHFFFAOYSA-N
XLogP0.24
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.24
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-methyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-methyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 58044024) is 5-methyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-methyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-methyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is CN1CCn2nc([N+](=O)[O-])cc2C1.
What is the InChIKey of 5-methyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is OELUSZMWYFSUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-9-2-3-10-6(5-9)4-7(8-10)11(12)13/h4H,2-3,5H2,1H3.
What are the key properties of 5-methyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-methyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 182.18 g/mol, XLogP of 0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 58044024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).