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

C8H10F2N4O2 — CID 86684002

IUPAC5-(2,2-difluoroethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESO=[N+]([O-])c1cc2n(n1)CCN(CC(F)F)C2
InChIInChI=1S/C8H10F2N4O2/c9-7(10)5-12-1-2-13-6(4-12)3-8(11-13)14(15)16/h3,7H,1-2,4-5H2
InChIKeyUGZHFKPCFHVYER-UHFFFAOYSA-N
MW232.19 g/mol
LogP0.87
Rot. Bonds3

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

5-(2,2-difluoroethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 86684002) has the molecular formula C8H10F2N4O2 and a molecular weight of 232.19 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID86684002
Molecular FormulaC8H10F2N4O2
Molecular Weight232.19 g/mol
Exact Mass232.08
IUPAC Name5-(2,2-difluoroethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESO=[N+]([O-])c1cc2n(n1)CCN(CC(F)F)C2
InChIInChI=1S/C8H10F2N4O2/c9-7(10)5-12-1-2-13-6(4-12)3-8(11-13)14(15)16/h3,7H,1-2,4-5H2
InChIKeyUGZHFKPCFHVYER-UHFFFAOYSA-N
XLogP0.87
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 50.87
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-(2,2-difluoroethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-(2,2-difluoroethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 86684002) is 5-(2,2-difluoroethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-(2,2-difluoroethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-(2,2-difluoroethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is O=[N+]([O-])c1cc2n(n1)CCN(CC(F)F)C2.
What is the InChIKey of 5-(2,2-difluoroethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is UGZHFKPCFHVYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N4O2/c9-7(10)5-12-1-2-13-6(4-12)3-8(11-13)14(15)16/h3,7H,1-2,4-5H2.
What are the key properties of 5-(2,2-difluoroethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-(2,2-difluoroethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 232.19 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 86684002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).