5-(6-methoxy-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde

C15H17N3O2 — CID 86622422

IUPAC5-(6-methoxy-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCOc1ccc2c(c1)N(c1c(C=O)c(C)nn1C)CC2
InChIInChI=1S/C15H17N3O2/c1-10-13(9-19)15(17(2)16-10)18-7-6-11-4-5-12(20-3)8-14(11)18/h4-5,8-9H,6-7H2,1-3H3
InChIKeyPMYUQHHCONMDLD-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.24
Rot. Bonds3

About 5-(6-methoxy-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde

5-(6-methoxy-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde (PubChem CID 86622422) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-(6-methoxy-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(6-methoxy-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
PubChem CID86622422
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-(6-methoxy-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCOc1ccc2c(c1)N(c1c(C=O)c(C)nn1C)CC2
InChIInChI=1S/C15H17N3O2/c1-10-13(9-19)15(17(2)16-10)18-7-6-11-4-5-12(20-3)8-14(11)18/h4-5,8-9H,6-7H2,1-3H3
InChIKeyPMYUQHHCONMDLD-UHFFFAOYSA-N
XLogP2.24
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.24
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-methoxy-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-(6-methoxy-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde (CID 86622422) is 5-(6-methoxy-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(6-methoxy-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-(6-methoxy-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde is COc1ccc2c(c1)N(c1c(C=O)c(C)nn1C)CC2.
What is the InChIKey of 5-(6-methoxy-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The InChIKey is PMYUQHHCONMDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-13(9-19)15(17(2)16-10)18-7-6-11-4-5-12(20-3)8-14(11)18/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 5-(6-methoxy-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
5-(6-methoxy-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde has a molecular weight of 271.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 86622422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).