1-methoxy-2-(1-methylpyrazol-4-yl)indole

C13H13N3O — CID 69420725

IUPAC1-methoxy-2-(1-methylpyrazol-4-yl)indole
SMILESCOn1c(-c2cnn(C)c2)cc2ccccc21
InChIInChI=1S/C13H13N3O/c1-15-9-11(8-14-15)13-7-10-5-3-4-6-12(10)16(13)17-2/h3-9H,1-2H3
InChIKeyKCCLBXIIZSCWAF-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.10
Rot. Bonds2

About 1-methoxy-2-(1-methylpyrazol-4-yl)indole

1-methoxy-2-(1-methylpyrazol-4-yl)indole (PubChem CID 69420725) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-methoxy-2-(1-methylpyrazol-4-yl)indole.

Molecular Properties

Compound Name1-methoxy-2-(1-methylpyrazol-4-yl)indole
PubChem CID69420725
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1-methoxy-2-(1-methylpyrazol-4-yl)indole
SMILESCOn1c(-c2cnn(C)c2)cc2ccccc21
InChIInChI=1S/C13H13N3O/c1-15-9-11(8-14-15)13-7-10-5-3-4-6-12(10)16(13)17-2/h3-9H,1-2H3
InChIKeyKCCLBXIIZSCWAF-UHFFFAOYSA-N
XLogP2.10
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(1-methylpyrazol-4-yl)indole?
The IUPAC name of 1-methoxy-2-(1-methylpyrazol-4-yl)indole (CID 69420725) is 1-methoxy-2-(1-methylpyrazol-4-yl)indole.
What is the SMILES notation for 1-methoxy-2-(1-methylpyrazol-4-yl)indole?
The canonical SMILES for 1-methoxy-2-(1-methylpyrazol-4-yl)indole is COn1c(-c2cnn(C)c2)cc2ccccc21.
What is the InChIKey of 1-methoxy-2-(1-methylpyrazol-4-yl)indole?
The InChIKey is KCCLBXIIZSCWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-15-9-11(8-14-15)13-7-10-5-3-4-6-12(10)16(13)17-2/h3-9H,1-2H3.
What are the key properties of 1-methoxy-2-(1-methylpyrazol-4-yl)indole?
1-methoxy-2-(1-methylpyrazol-4-yl)indole has a molecular weight of 227.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(1-methylpyrazol-4-yl)indole is sourced from PubChem (CID 69420725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).