7-nitro-5H-imidazo[1,2-b]pyrazole

C5H4N4O2 — CID 1247222

IUPAC7-nitro-5H-imidazo[1,2-b]pyrazole
SMILESO=[N+]([O-])c1c[nH]n2ccnc12
InChIInChI=1S/C5H4N4O2/c10-9(11)4-3-7-8-2-1-6-5(4)8/h1-3,7H
InChIKeyAZEOCTLRFDVEMU-UHFFFAOYSA-N
MW152.11 g/mol
LogP0.57
Rot. Bonds1

About 7-nitro-5H-imidazo[1,2-b]pyrazole

7-nitro-5H-imidazo[1,2-b]pyrazole (PubChem CID 1247222) has the molecular formula C5H4N4O2 and a molecular weight of 152.11 g/mol. Its IUPAC name is 7-nitro-5H-imidazo[1,2-b]pyrazole.

Molecular Properties

Compound Name7-nitro-5H-imidazo[1,2-b]pyrazole
PubChem CID1247222
Molecular FormulaC5H4N4O2
Molecular Weight152.11 g/mol
Exact Mass152.03
IUPAC Name7-nitro-5H-imidazo[1,2-b]pyrazole
SMILESO=[N+]([O-])c1c[nH]n2ccnc12
InChIInChI=1S/C5H4N4O2/c10-9(11)4-3-7-8-2-1-6-5(4)8/h1-3,7H
InChIKeyAZEOCTLRFDVEMU-UHFFFAOYSA-N
XLogP0.57
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

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CID 139214857
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CID 317500
CID 317500
CID 46299028
CID 46299028
CID 10630474
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CID 17786170
CID 17786170

Frequently Asked Questions

What is the IUPAC name of 7-nitro-5H-imidazo[1,2-b]pyrazole?
The IUPAC name of 7-nitro-5H-imidazo[1,2-b]pyrazole (CID 1247222) is 7-nitro-5H-imidazo[1,2-b]pyrazole.
What is the SMILES notation for 7-nitro-5H-imidazo[1,2-b]pyrazole?
The canonical SMILES for 7-nitro-5H-imidazo[1,2-b]pyrazole is O=[N+]([O-])c1c[nH]n2ccnc12.
What is the InChIKey of 7-nitro-5H-imidazo[1,2-b]pyrazole?
The InChIKey is AZEOCTLRFDVEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O2/c10-9(11)4-3-7-8-2-1-6-5(4)8/h1-3,7H.
What are the key properties of 7-nitro-5H-imidazo[1,2-b]pyrazole?
7-nitro-5H-imidazo[1,2-b]pyrazole has a molecular weight of 152.11 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-5H-imidazo[1,2-b]pyrazole is sourced from PubChem (CID 1247222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).