5-nitro-1H-indazole

C7H5N3O2 — CID 21501

IUPAC5-nitro-1H-indazole
SMILESO=[N+]([O-])c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9)
InChIKeyWSGURAYTCUVDQL-UHFFFAOYSA-N
MW163.14 g/mol
LogP1.47
Rot. Bonds1

About 5-nitro-1H-indazole

5-nitro-1H-indazole (PubChem CID 21501) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 5-nitro-1H-indazole.

Molecular Properties

Compound Name5-nitro-1H-indazole
PubChem CID21501
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name5-nitro-1H-indazole
SMILESO=[N+]([O-])c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9)
InChIKeyWSGURAYTCUVDQL-UHFFFAOYSA-N
XLogP1.47
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-nitro-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Nitroindazole
CID 1893
1H-Indazol-6-amine
CID 81423
1H-Indazol-5-amine
CID 88012
6-Nitroindazole
CID 24239
1H-Indazole
CID 9221
1H-indazol-7-amine
CID 88901
4-Nitroindazole
CID 18057
3-(4-Nitrophenyl)-1H-pyrazole
CID 2737071
2-Methyl-5-nitro-2H-indazole
CID 97550
3-(3-nitrophenyl)-1H-pyrazole
CID 2737070
3-Chloro-5-nitro-1H-indazole
CID 78534
5-Iodo-1H-indazole
CID 21894739

Frequently Asked Questions

What is the IUPAC name of 5-nitro-1H-indazole?
The IUPAC name of 5-nitro-1H-indazole (CID 21501) is 5-nitro-1H-indazole.
What is the SMILES notation for 5-nitro-1H-indazole?
The canonical SMILES for 5-nitro-1H-indazole is O=[N+]([O-])c1ccc2[nH]ncc2c1.
What is the InChIKey of 5-nitro-1H-indazole?
The InChIKey is WSGURAYTCUVDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9).
What are the key properties of 5-nitro-1H-indazole?
5-nitro-1H-indazole has a molecular weight of 163.14 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1H-indazole is sourced from PubChem (CID 21501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).