Chemical substance record

7-nitroindazole

2942-42-9C₇H₅N₃O₂163.136 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A member of the class of indazoles that is 1H-indazole substituted by a nitro group at position 7. It is a nitric oxide synthase (NOS) inhibitor. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values

CAS number	2942-42-9	ChEBI ↗
Molecular formula	C₇H₅N₃O₂	ChEBI ↗
Molar mass	163.136 g/mol	ChEBI ↗
Monoisotopic mass	163.03818 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:40287	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	163.13 g/mol	PubChem ↗
Exact mass	163.038176411 Da	PubChem ↗
Computed XLogP	1.8	PubChem ↗
Topological polar surface area (Å²)	74.5	PubChem ↗
H-bond donors	1	PubChem ↗
H-bond acceptors	3	PubChem ↗
Rotatable bonds	0	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

7-nitroindazole

IUPAC name

7-nitro-1H-indazole

InChIKey

PQCAUHUKTBHUSA-UHFFFAOYSA-N

SMILES

O=[N+]([O-])c1cccc2cnnc12

InChI

InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)

Names & synonyms

7-nitro-1H-indazole

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

C-nitro compoundChEBI parent class · 35716 ↗indazolesChEBI parent class · 38769 ↗

organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

antinociceptive agentanxiolytic druganalgesicEC 1.14.13.39 (nitric oxide synthase) inhibitorneuroprotective agent

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00612985 mol

Uses 163.136 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 7 atoms

51.54%

N

Nitrogen · 3 atoms

25.76%

O

Oxygen · 2 atoms

19.61%

H

Hydrogen · 5 atoms

3.09%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

7-Nitro-1H-indazole, an inhibitor of nitric oxide synthase. ↗Acta crystallographica. Section C, Crystal structure communications · 2000 Dec · PMID 11119007

Changes in hippocampal gene expression by 7-nitroindazole in rats submitted to forced swimming stress. ↗Genes, brain, and behavior · 2012 Apr · PMID 22142142

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:40287

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 1893 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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