5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde

C15H15N3O2 — CID 87182156

IUPAC5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCOc1ccc2ccn(-c3c(C=O)c(C)nn3C)c2c1
InChIInChI=1S/C15H15N3O2/c1-10-13(9-19)15(17(2)16-10)18-7-6-11-4-5-12(20-3)8-14(11)18/h4-9H,1-3H3
InChIKeyXYOSUBAHOYPWSK-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.49
Rot. Bonds3

About 5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde

5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde (PubChem CID 87182156) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
PubChem CID87182156
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCOc1ccc2ccn(-c3c(C=O)c(C)nn3C)c2c1
InChIInChI=1S/C15H15N3O2/c1-10-13(9-19)15(17(2)16-10)18-7-6-11-4-5-12(20-3)8-14(11)18/h4-9H,1-3H3
InChIKeyXYOSUBAHOYPWSK-UHFFFAOYSA-N
XLogP2.49
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde (CID 87182156) is 5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde is COc1ccc2ccn(-c3c(C=O)c(C)nn3C)c2c1.
What is the InChIKey of 5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The InChIKey is XYOSUBAHOYPWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-13(9-19)15(17(2)16-10)18-7-6-11-4-5-12(20-3)8-14(11)18/h4-9H,1-3H3.
What are the key properties of 5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde has a molecular weight of 269.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxyindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 87182156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).