2-methyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde

C9H12N2O — CID 83383385

IUPAC2-methyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
SMILESCn1nc2c(c1C=O)CCCC2
InChIInChI=1S/C9H12N2O/c1-11-9(6-12)7-4-2-3-5-8(7)10-11/h6H,2-5H2,1H3
InChIKeyVDSJGZYGIJMINS-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.11
Rot. Bonds1

About 2-methyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde

2-methyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde (PubChem CID 83383385) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
PubChem CID83383385
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-methyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
SMILESCn1nc2c(c1C=O)CCCC2
InChIInChI=1S/C9H12N2O/c1-11-9(6-12)7-4-2-3-5-8(7)10-11/h6H,2-5H2,1H3
InChIKeyVDSJGZYGIJMINS-UHFFFAOYSA-N
XLogP1.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde (CID 83383385) is 2-methyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde is Cn1nc2c(c1C=O)CCCC2.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde?
The InChIKey is VDSJGZYGIJMINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11-9(6-12)7-4-2-3-5-8(7)10-11/h6H,2-5H2,1H3.
What are the key properties of 2-methyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde?
2-methyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde has a molecular weight of 164.21 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde is sourced from PubChem (CID 83383385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).