5-methoxy-3H-indazole

C8H8N2O — CID 119082397

IUPAC5-methoxy-3H-indazole
SMILESCOc1ccc2c(c1)CN=N2
InChIInChI=1S/C8H8N2O/c1-11-7-2-3-8-6(4-7)5-9-10-8/h2-4H,5H2,1H3
InChIKeyFPULHKLIBIODRY-UHFFFAOYSA-N
MW148.16 g/mol
LogP2.29
Rot. Bonds1

About 5-methoxy-3H-indazole

5-methoxy-3H-indazole (PubChem CID 119082397) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 5-methoxy-3H-indazole.

Molecular Properties

Compound Name5-methoxy-3H-indazole
PubChem CID119082397
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name5-methoxy-3H-indazole
SMILESCOc1ccc2c(c1)CN=N2
InChIInChI=1S/C8H8N2O/c1-11-7-2-3-8-6(4-7)5-9-10-8/h2-4H,5H2,1H3
InChIKeyFPULHKLIBIODRY-UHFFFAOYSA-N
XLogP2.29
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3H-indazole?
The IUPAC name of 5-methoxy-3H-indazole (CID 119082397) is 5-methoxy-3H-indazole.
What is the SMILES notation for 5-methoxy-3H-indazole?
The canonical SMILES for 5-methoxy-3H-indazole is COc1ccc2c(c1)CN=N2.
What is the InChIKey of 5-methoxy-3H-indazole?
The InChIKey is FPULHKLIBIODRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-11-7-2-3-8-6(4-7)5-9-10-8/h2-4H,5H2,1H3.
What are the key properties of 5-methoxy-3H-indazole?
5-methoxy-3H-indazole has a molecular weight of 148.16 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3H-indazole is sourced from PubChem (CID 119082397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).