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

C12H11N3O — CID 66573122

IUPAC5-methoxy-2-pyrazol-1-yl-1H-indole
SMILESCOc1ccc2[nH]c(-n3cccn3)cc2c1
InChIInChI=1S/C12H11N3O/c1-16-10-3-4-11-9(7-10)8-12(14-11)15-6-2-5-13-15/h2-8,14H,1H3
InChIKeyQPRMNRJLWOBZLJ-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.36
Rot. Bonds2

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

5-methoxy-2-pyrazol-1-yl-1H-indole (PubChem CID 66573122) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-methoxy-2-pyrazol-1-yl-1H-indole.

Molecular Properties

Compound Name5-methoxy-2-pyrazol-1-yl-1H-indole
PubChem CID66573122
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name5-methoxy-2-pyrazol-1-yl-1H-indole
SMILESCOc1ccc2[nH]c(-n3cccn3)cc2c1
InChIInChI=1S/C12H11N3O/c1-16-10-3-4-11-9(7-10)8-12(14-11)15-6-2-5-13-15/h2-8,14H,1H3
InChIKeyQPRMNRJLWOBZLJ-UHFFFAOYSA-N
XLogP2.36
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-pyrazol-1-yl-1H-indole?
The IUPAC name of 5-methoxy-2-pyrazol-1-yl-1H-indole (CID 66573122) is 5-methoxy-2-pyrazol-1-yl-1H-indole.
What is the SMILES notation for 5-methoxy-2-pyrazol-1-yl-1H-indole?
The canonical SMILES for 5-methoxy-2-pyrazol-1-yl-1H-indole is COc1ccc2[nH]c(-n3cccn3)cc2c1.
What is the InChIKey of 5-methoxy-2-pyrazol-1-yl-1H-indole?
The InChIKey is QPRMNRJLWOBZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-16-10-3-4-11-9(7-10)8-12(14-11)15-6-2-5-13-15/h2-8,14H,1H3.
What are the key properties of 5-methoxy-2-pyrazol-1-yl-1H-indole?
5-methoxy-2-pyrazol-1-yl-1H-indole has a molecular weight of 213.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-pyrazol-1-yl-1H-indole is sourced from PubChem (CID 66573122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).