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

C10H16N4O3 — CID 86684544

IUPAC5-(1-methoxypropan-2-yl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCOCC(C)N1CCn2nc([N+](=O)[O-])cc2C1
InChIInChI=1S/C10H16N4O3/c1-8(7-17-2)12-3-4-13-9(6-12)5-10(11-13)14(15)16/h5,8H,3-4,6-7H2,1-2H3
InChIKeyNSESQOFUROHQBT-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.64
Rot. Bonds4

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

5-(1-methoxypropan-2-yl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 86684544) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-(1-methoxypropan-2-yl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-(1-methoxypropan-2-yl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID86684544
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name5-(1-methoxypropan-2-yl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCOCC(C)N1CCn2nc([N+](=O)[O-])cc2C1
InChIInChI=1S/C10H16N4O3/c1-8(7-17-2)12-3-4-13-9(6-12)5-10(11-13)14(15)16/h5,8H,3-4,6-7H2,1-2H3
InChIKeyNSESQOFUROHQBT-UHFFFAOYSA-N
XLogP0.64
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.64
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxypropan-2-yl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-(1-methoxypropan-2-yl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 86684544) is 5-(1-methoxypropan-2-yl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-(1-methoxypropan-2-yl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-(1-methoxypropan-2-yl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is COCC(C)N1CCn2nc([N+](=O)[O-])cc2C1.
What is the InChIKey of 5-(1-methoxypropan-2-yl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is NSESQOFUROHQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-8(7-17-2)12-3-4-13-9(6-12)5-10(11-13)14(15)16/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 5-(1-methoxypropan-2-yl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-(1-methoxypropan-2-yl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 240.26 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxypropan-2-yl)-2-nitro-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 86684544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).