1-cyclopropyl-6-methoxyindazole-3-carbaldehyde

C12H12N2O2 — CID 77230772

IUPAC1-cyclopropyl-6-methoxyindazole-3-carbaldehyde
SMILESCOc1ccc2c(C=O)nn(C3CC3)c2c1
InChIInChI=1S/C12H12N2O2/c1-16-9-4-5-10-11(7-15)13-14(8-2-3-8)12(10)6-9/h4-8H,2-3H2,1H3
InChIKeyUMZAEDWAFSXHBS-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.19
Rot. Bonds3

About 1-cyclopropyl-6-methoxyindazole-3-carbaldehyde

1-cyclopropyl-6-methoxyindazole-3-carbaldehyde (PubChem CID 77230772) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-cyclopropyl-6-methoxyindazole-3-carbaldehyde.

Molecular Properties

Compound Name1-cyclopropyl-6-methoxyindazole-3-carbaldehyde
PubChem CID77230772
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-cyclopropyl-6-methoxyindazole-3-carbaldehyde
SMILESCOc1ccc2c(C=O)nn(C3CC3)c2c1
InChIInChI=1S/C12H12N2O2/c1-16-9-4-5-10-11(7-15)13-14(8-2-3-8)12(10)6-9/h4-8H,2-3H2,1H3
InChIKeyUMZAEDWAFSXHBS-UHFFFAOYSA-N
XLogP2.19
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-methoxyindazole-3-carbaldehyde?
The IUPAC name of 1-cyclopropyl-6-methoxyindazole-3-carbaldehyde (CID 77230772) is 1-cyclopropyl-6-methoxyindazole-3-carbaldehyde.
What is the SMILES notation for 1-cyclopropyl-6-methoxyindazole-3-carbaldehyde?
The canonical SMILES for 1-cyclopropyl-6-methoxyindazole-3-carbaldehyde is COc1ccc2c(C=O)nn(C3CC3)c2c1.
What is the InChIKey of 1-cyclopropyl-6-methoxyindazole-3-carbaldehyde?
The InChIKey is UMZAEDWAFSXHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-16-9-4-5-10-11(7-15)13-14(8-2-3-8)12(10)6-9/h4-8H,2-3H2,1H3.
What are the key properties of 1-cyclopropyl-6-methoxyindazole-3-carbaldehyde?
1-cyclopropyl-6-methoxyindazole-3-carbaldehyde has a molecular weight of 216.24 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-methoxyindazole-3-carbaldehyde is sourced from PubChem (CID 77230772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).