6-(4-methoxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one

C15H16N2O2 — CID 6472744

IUPAC6-(4-methoxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one
SMILESCOc1ccc(C2CC(=O)c3c(n[nH]c3C)C2)cc1
InChIInChI=1S/C15H16N2O2/c1-9-15-13(17-16-9)7-11(8-14(15)18)10-3-5-12(19-2)6-4-10/h3-6,11H,7-8H2,1-2H3,(H,16,17)
InChIKeyVFJWWRRUHOQLFX-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.64
Rot. Bonds2

About 6-(4-methoxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one

6-(4-methoxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one (PubChem CID 6472744) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one
PubChem CID6472744
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name6-(4-methoxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one
SMILESCOc1ccc(C2CC(=O)c3c(n[nH]c3C)C2)cc1
InChIInChI=1S/C15H16N2O2/c1-9-15-13(17-16-9)7-11(8-14(15)18)10-3-5-12(19-2)6-4-10/h3-6,11H,7-8H2,1-2H3,(H,16,17)
InChIKeyVFJWWRRUHOQLFX-UHFFFAOYSA-N
XLogP2.64
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one?
The IUPAC name of 6-(4-methoxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one (CID 6472744) is 6-(4-methoxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one?
The canonical SMILES for 6-(4-methoxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one is COc1ccc(C2CC(=O)c3c(n[nH]c3C)C2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one?
The InChIKey is VFJWWRRUHOQLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-15-13(17-16-9)7-11(8-14(15)18)10-3-5-12(19-2)6-4-10/h3-6,11H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 6-(4-methoxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one?
6-(4-methoxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one has a molecular weight of 256.31 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one is sourced from PubChem (CID 6472744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).