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

C14H20N2O — CID 105491752

IUPAC2-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
SMILESO=Cc1c2c(nn1C1CCCCC1)CCCC2
InChIInChI=1S/C14H20N2O/c17-10-14-12-8-4-5-9-13(12)15-16(14)11-6-2-1-3-7-11/h10-11H,1-9H2
InChIKeyXQJPGVSLSNXCAC-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.08
Rot. Bonds2

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

2-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde (PubChem CID 105491752) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde.

Molecular Properties

Compound Name2-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
PubChem CID105491752
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
SMILESO=Cc1c2c(nn1C1CCCCC1)CCCC2
InChIInChI=1S/C14H20N2O/c17-10-14-12-8-4-5-9-13(12)15-16(14)11-6-2-1-3-7-11/h10-11H,1-9H2
InChIKeyXQJPGVSLSNXCAC-UHFFFAOYSA-N
XLogP3.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.08
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-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde?
The IUPAC name of 2-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde (CID 105491752) is 2-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde.
What is the SMILES notation for 2-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde?
The canonical SMILES for 2-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde is O=Cc1c2c(nn1C1CCCCC1)CCCC2.
What is the InChIKey of 2-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde?
The InChIKey is XQJPGVSLSNXCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-10-14-12-8-4-5-9-13(12)15-16(14)11-6-2-1-3-7-11/h10-11H,1-9H2.
What are the key properties of 2-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde?
2-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde has a molecular weight of 232.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde is sourced from PubChem (CID 105491752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).