7-nitropyrazolo[1,5-b]isoindol-5-one

C10H5N3O3 — CID 102077190

IUPAC7-nitropyrazolo[1,5-b]isoindol-5-one
SMILESO=C1c2cc([N+](=O)[O-])ccc2-c2ccnn21
InChIInChI=1S/C10H5N3O3/c14-10-8-5-6(13(15)16)1-2-7(8)9-3-4-11-12(9)10/h1-5H
InChIKeyBWMUPLBAXNFMIX-UHFFFAOYSA-N
MW215.17 g/mol
LogP1.46
Rot. Bonds1

About 7-nitropyrazolo[1,5-b]isoindol-5-one

7-nitropyrazolo[1,5-b]isoindol-5-one (PubChem CID 102077190) has the molecular formula C10H5N3O3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 7-nitropyrazolo[1,5-b]isoindol-5-one.

Molecular Properties

Compound Name7-nitropyrazolo[1,5-b]isoindol-5-one
PubChem CID102077190
Molecular FormulaC10H5N3O3
Molecular Weight215.17 g/mol
Exact Mass215.03
IUPAC Name7-nitropyrazolo[1,5-b]isoindol-5-one
SMILESO=C1c2cc([N+](=O)[O-])ccc2-c2ccnn21
InChIInChI=1S/C10H5N3O3/c14-10-8-5-6(13(15)16)1-2-7(8)9-3-4-11-12(9)10/h1-5H
InChIKeyBWMUPLBAXNFMIX-UHFFFAOYSA-N
XLogP1.46
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.46
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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Related Compounds

5-nitro-2-(4-nitro-2-pyridinyl)isoindole-1,3-dione
CID 3823487
5-nitro-2-[2-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 19370940
5-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole
CID 11537133
2-(5-nitro-1,3-dioxoisoindol-2-yl)acetate
CID 3712827
2-(3-hydroxybutyl)-5-nitroisoindole-1,3-dione
CID 19593559
3-(5-nitro-1,3-dioxoisoindol-2-yl)propanal
CID 63040575
2-benzhydryl-5-nitroisoindole-1,3-dione
CID 67652048
2-(cyclopropylmethyl)-5-nitroisoindole-1,3-dione
CID 22502087
5-nitro-2-(2,3,5,6-tetramethylphenyl)sulfonylisoindole-1,3-dione
CID 2545598
2-(4-chlorobut-2-enyl)-5-nitroisoindole-1,3-dione
CID 77051096
2-(4-bromobutyl)-5-nitroisoindole-1,3-dione
CID 2735540
1-[2-(2-ethylpyrazol-3-yl)-5-nitrophenyl]-N-methylmethanamine;hydrochloride
CID 162305249

Frequently Asked Questions

What is the IUPAC name of 7-nitropyrazolo[1,5-b]isoindol-5-one?
The IUPAC name of 7-nitropyrazolo[1,5-b]isoindol-5-one (CID 102077190) is 7-nitropyrazolo[1,5-b]isoindol-5-one.
What is the SMILES notation for 7-nitropyrazolo[1,5-b]isoindol-5-one?
The canonical SMILES for 7-nitropyrazolo[1,5-b]isoindol-5-one is O=C1c2cc([N+](=O)[O-])ccc2-c2ccnn21.
What is the InChIKey of 7-nitropyrazolo[1,5-b]isoindol-5-one?
The InChIKey is BWMUPLBAXNFMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N3O3/c14-10-8-5-6(13(15)16)1-2-7(8)9-3-4-11-12(9)10/h1-5H.
What are the key properties of 7-nitropyrazolo[1,5-b]isoindol-5-one?
7-nitropyrazolo[1,5-b]isoindol-5-one has a molecular weight of 215.17 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitropyrazolo[1,5-b]isoindol-5-one is sourced from PubChem (CID 102077190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).