5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole

C12H11N3O — CID 135496116

IUPAC5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole
SMILESCOc1ccc2[nH]c(-c3ccn[nH]3)cc2c1
InChIInChI=1S/C12H11N3O/c1-16-9-2-3-10-8(6-9)7-12(14-10)11-4-5-13-15-11/h2-7,14H,1H3,(H,13,15)
InChIKeyIIFHXPMSPDCHSU-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.57
Rot. Bonds2

About 5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole

5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole (PubChem CID 135496116) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole.

Molecular Properties

Compound Name5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole
PubChem CID135496116
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole
SMILESCOc1ccc2[nH]c(-c3ccn[nH]3)cc2c1
InChIInChI=1S/C12H11N3O/c1-16-9-2-3-10-8(6-9)7-12(14-10)11-4-5-13-15-11/h2-7,14H,1H3,(H,13,15)
InChIKeyIIFHXPMSPDCHSU-UHFFFAOYSA-N
XLogP2.57
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole?
The IUPAC name of 5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole (CID 135496116) is 5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole.
What is the SMILES notation for 5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole?
The canonical SMILES for 5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole is COc1ccc2[nH]c(-c3ccn[nH]3)cc2c1.
What is the InChIKey of 5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole?
The InChIKey is IIFHXPMSPDCHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-16-9-2-3-10-8(6-9)7-12(14-10)11-4-5-13-15-11/h2-7,14H,1H3,(H,13,15).
What are the key properties of 5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole?
5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole has a molecular weight of 213.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole is sourced from PubChem (CID 135496116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).