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

C9H12N4O2 — CID 58044222

IUPAC5-cyclopropyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESO=[N+]([O-])c1cc2n(n1)CCN(C1CC1)C2
InChIInChI=1S/C9H12N4O2/c14-13(15)9-5-8-6-11(7-1-2-7)3-4-12(8)10-9/h5,7H,1-4,6H2
InChIKeyJOCFYNKWCKGZAF-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.77
Rot. Bonds2

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

5-cyclopropyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 58044222) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-cyclopropyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-cyclopropyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID58044222
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name5-cyclopropyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESO=[N+]([O-])c1cc2n(n1)CCN(C1CC1)C2
InChIInChI=1S/C9H12N4O2/c14-13(15)9-5-8-6-11(7-1-2-7)3-4-12(8)10-9/h5,7H,1-4,6H2
InChIKeyJOCFYNKWCKGZAF-UHFFFAOYSA-N
XLogP0.77
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.77
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-cyclopropyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-cyclopropyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 58044222) is 5-cyclopropyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-cyclopropyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-cyclopropyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is O=[N+]([O-])c1cc2n(n1)CCN(C1CC1)C2.
What is the InChIKey of 5-cyclopropyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is JOCFYNKWCKGZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c14-13(15)9-5-8-6-11(7-1-2-7)3-4-12(8)10-9/h5,7H,1-4,6H2.
What are the key properties of 5-cyclopropyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-cyclopropyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 208.22 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 58044222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).