1-hexyl-6-methoxyindazole-3-carbaldehyde

C15H20N2O2 — CID 142896051

IUPAC1-hexyl-6-methoxyindazole-3-carbaldehyde
SMILESCCCCCCn1nc(C=O)c2ccc(OC)cc21
InChIInChI=1S/C15H20N2O2/c1-3-4-5-6-9-17-15-10-12(19-2)7-8-13(15)14(11-18)16-17/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyXWPPVHLHXMKIJR-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.44
Rot. Bonds7

About 1-hexyl-6-methoxyindazole-3-carbaldehyde

1-hexyl-6-methoxyindazole-3-carbaldehyde (PubChem CID 142896051) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-hexyl-6-methoxyindazole-3-carbaldehyde.

Molecular Properties

Compound Name1-hexyl-6-methoxyindazole-3-carbaldehyde
PubChem CID142896051
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-hexyl-6-methoxyindazole-3-carbaldehyde
SMILESCCCCCCn1nc(C=O)c2ccc(OC)cc21
InChIInChI=1S/C15H20N2O2/c1-3-4-5-6-9-17-15-10-12(19-2)7-8-13(15)14(11-18)16-17/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyXWPPVHLHXMKIJR-UHFFFAOYSA-N
XLogP3.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-formyl-6-methoxyindazole-1-carboxylic acid
CID 87139772
1-heptyl-5-(4-methoxyphenyl)triazole-4-carbaldehyde
CID 82208059
1-cyclopropyl-6-methoxyindazole-3-carbaldehyde
CID 77230772
4-butoxy-1-hexyl-3,7-dimethoxyquinolin-2-one
CID 139717994
N,N-dibutyl-2-(6-methoxy-3-methylindazol-1-yl)acetamide
CID 143018288
4-butoxy-3-hexoxy-7-methoxy-1-methylquinolin-2-one
CID 139717572
tert-butyl 3-(bromomethyl)-6-methoxyindazole-1-carboxylate;tert-butyl 3-formyl-6-methoxyindazole-1-carboxylate
CID 158397860
1-hexyl-5-[(4-methylphenoxy)methyl]triazole-4-carbaldehyde
CID 82206052
3,7-dimethoxy-1-octyl-4-propan-2-yloxyquinolin-2-one
CID 139717374
1-butyl-5-(3-methoxyphenyl)triazole-4-carbaldehyde
CID 82205339
5-(3,4-dimethoxyphenyl)-1-hexyltriazole-4-carbaldehyde
CID 94944077
7-methoxy-9-pentylcarbazole-3-carboxylic acid
CID 66739603

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-6-methoxyindazole-3-carbaldehyde?
The IUPAC name of 1-hexyl-6-methoxyindazole-3-carbaldehyde (CID 142896051) is 1-hexyl-6-methoxyindazole-3-carbaldehyde.
What is the SMILES notation for 1-hexyl-6-methoxyindazole-3-carbaldehyde?
The canonical SMILES for 1-hexyl-6-methoxyindazole-3-carbaldehyde is CCCCCCn1nc(C=O)c2ccc(OC)cc21.
What is the InChIKey of 1-hexyl-6-methoxyindazole-3-carbaldehyde?
The InChIKey is XWPPVHLHXMKIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-4-5-6-9-17-15-10-12(19-2)7-8-13(15)14(11-18)16-17/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 1-hexyl-6-methoxyindazole-3-carbaldehyde?
1-hexyl-6-methoxyindazole-3-carbaldehyde has a molecular weight of 260.34 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-6-methoxyindazole-3-carbaldehyde is sourced from PubChem (CID 142896051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).