5-(5-nitrofuran-2-yl)-1H-pyrazole

C7H5N3O3 — CID 901425

IUPAC5-(5-nitrofuran-2-yl)-1H-pyrazole
SMILESO=[N+]([O-])c1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C7H5N3O3/c11-10(12)7-2-1-6(13-7)5-3-4-8-9-5/h1-4H,(H,8,9)
InChIKeyDICJXPWWJZEDCX-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.58
Rot. Bonds2

About 5-(5-nitrofuran-2-yl)-1H-pyrazole

5-(5-nitrofuran-2-yl)-1H-pyrazole (PubChem CID 901425) has the molecular formula C7H5N3O3 and a molecular weight of 179.14 g/mol. Its IUPAC name is 5-(5-nitrofuran-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(5-nitrofuran-2-yl)-1H-pyrazole
PubChem CID901425
Molecular FormulaC7H5N3O3
Molecular Weight179.14 g/mol
Exact Mass179.03
IUPAC Name5-(5-nitrofuran-2-yl)-1H-pyrazole
SMILESO=[N+]([O-])c1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C7H5N3O3/c11-10(12)7-2-1-6(13-7)5-3-4-8-9-5/h1-4H,(H,8,9)
InChIKeyDICJXPWWJZEDCX-UHFFFAOYSA-N
XLogP1.58
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of 5-(5-nitrofuran-2-yl)-1H-pyrazole?
The IUPAC name of 5-(5-nitrofuran-2-yl)-1H-pyrazole (CID 901425) is 5-(5-nitrofuran-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-(5-nitrofuran-2-yl)-1H-pyrazole?
The canonical SMILES for 5-(5-nitrofuran-2-yl)-1H-pyrazole is O=[N+]([O-])c1ccc(-c2ccn[nH]2)o1.
What is the InChIKey of 5-(5-nitrofuran-2-yl)-1H-pyrazole?
The InChIKey is DICJXPWWJZEDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3/c11-10(12)7-2-1-6(13-7)5-3-4-8-9-5/h1-4H,(H,8,9).
What are the key properties of 5-(5-nitrofuran-2-yl)-1H-pyrazole?
5-(5-nitrofuran-2-yl)-1H-pyrazole has a molecular weight of 179.14 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-nitrofuran-2-yl)-1H-pyrazole is sourced from PubChem (CID 901425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).