4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole

C9H14N2O — CID 167037026

IUPAC4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole
SMILESCOC1c2cn[nH]c2CCC1C
InChIInChI=1S/C9H14N2O/c1-6-3-4-8-7(5-10-11-8)9(6)12-2/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyKKUUGAHAJSSFMG-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.68
Rot. Bonds1

About 4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole

4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 167037026) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole
PubChem CID167037026
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole
SMILESCOC1c2cn[nH]c2CCC1C
InChIInChI=1S/C9H14N2O/c1-6-3-4-8-7(5-10-11-8)9(6)12-2/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyKKUUGAHAJSSFMG-UHFFFAOYSA-N
XLogP1.68
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole (CID 167037026) is 4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole is COC1c2cn[nH]c2CCC1C.
What is the InChIKey of 4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is KKUUGAHAJSSFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-3-4-8-7(5-10-11-8)9(6)12-2/h5-6,9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole?
4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 166.22 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 167037026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).