3-methyl-2H-indazole-5-carbaldehyde

C9H8N2O — CID 45121478

IUPAC3-methyl-2H-indazole-5-carbaldehyde
SMILESCc1[nH]nc2ccc(C=O)cc12
InChIInChI=1S/C9H8N2O/c1-6-8-4-7(5-12)2-3-9(8)11-10-6/h2-5H,1H3,(H,10,11)
InChIKeyFGBHCSVATHXMLX-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.68
Rot. Bonds1

About 3-methyl-2H-indazole-5-carbaldehyde

3-methyl-2H-indazole-5-carbaldehyde (PubChem CID 45121478) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 3-methyl-2H-indazole-5-carbaldehyde.

Molecular Properties

Compound Name3-methyl-2H-indazole-5-carbaldehyde
PubChem CID45121478
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name3-methyl-2H-indazole-5-carbaldehyde
SMILESCc1[nH]nc2ccc(C=O)cc12
InChIInChI=1S/C9H8N2O/c1-6-8-4-7(5-12)2-3-9(8)11-10-6/h2-5H,1H3,(H,10,11)
InChIKeyFGBHCSVATHXMLX-UHFFFAOYSA-N
XLogP1.68
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-2H-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 3-methyl-2H-indazole-5-carbaldehyde?
The IUPAC name of 3-methyl-2H-indazole-5-carbaldehyde (CID 45121478) is 3-methyl-2H-indazole-5-carbaldehyde.
What is the SMILES notation for 3-methyl-2H-indazole-5-carbaldehyde?
The canonical SMILES for 3-methyl-2H-indazole-5-carbaldehyde is Cc1[nH]nc2ccc(C=O)cc12.
What is the InChIKey of 3-methyl-2H-indazole-5-carbaldehyde?
The InChIKey is FGBHCSVATHXMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-6-8-4-7(5-12)2-3-9(8)11-10-6/h2-5H,1H3,(H,10,11).
What are the key properties of 3-methyl-2H-indazole-5-carbaldehyde?
3-methyl-2H-indazole-5-carbaldehyde has a molecular weight of 160.18 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-indazole-5-carbaldehyde is sourced from PubChem (CID 45121478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).