1H-indazole-5-carbaldehyde

C8H6N2O — CID 21250644

IUPAC1H-indazole-5-carbaldehyde
SMILESO=Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C8H6N2O/c11-5-6-1-2-8-7(3-6)4-9-10-8/h1-5H,(H,9,10)
InChIKeyYJKMYHNMBGQQQZ-UHFFFAOYSA-N
MW146.15 g/mol
LogP1.38
Rot. Bonds1

About 1H-indazole-5-carbaldehyde

1H-indazole-5-carbaldehyde (PubChem CID 21250644) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 1H-indazole-5-carbaldehyde.

Molecular Properties

Compound Name1H-indazole-5-carbaldehyde
PubChem CID21250644
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name1H-indazole-5-carbaldehyde
SMILESO=Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C8H6N2O/c11-5-6-1-2-8-7(3-6)4-9-10-8/h1-5H,(H,9,10)
InChIKeyYJKMYHNMBGQQQZ-UHFFFAOYSA-N
XLogP1.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1H-indazole-5-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-indazole-5-carbaldehyde?
The IUPAC name of 1H-indazole-5-carbaldehyde (CID 21250644) is 1H-indazole-5-carbaldehyde.
What is the SMILES notation for 1H-indazole-5-carbaldehyde?
The canonical SMILES for 1H-indazole-5-carbaldehyde is O=Cc1ccc2[nH]ncc2c1.
What is the InChIKey of 1H-indazole-5-carbaldehyde?
The InChIKey is YJKMYHNMBGQQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-5-6-1-2-8-7(3-6)4-9-10-8/h1-5H,(H,9,10).
What are the key properties of 1H-indazole-5-carbaldehyde?
1H-indazole-5-carbaldehyde has a molecular weight of 146.15 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole-5-carbaldehyde is sourced from PubChem (CID 21250644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).