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

C15H16N2O — CID 6471207

IUPAC3-methyl-6-(4-methylphenyl)-2,5,6,7-tetrahydroindazol-4-one
SMILESCc1ccc(C2CC(=O)c3c(n[nH]c3C)C2)cc1
InChIInChI=1S/C15H16N2O/c1-9-3-5-11(6-4-9)12-7-13-15(14(18)8-12)10(2)16-17-13/h3-6,12H,7-8H2,1-2H3,(H,16,17)
InChIKeyKIKNHUUQUMUDEP-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.94
Rot. Bonds1

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

3-methyl-6-(4-methylphenyl)-2,5,6,7-tetrahydroindazol-4-one (PubChem CID 6471207) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-methyl-6-(4-methylphenyl)-2,5,6,7-tetrahydroindazol-4-one.

Molecular Properties

Compound Name3-methyl-6-(4-methylphenyl)-2,5,6,7-tetrahydroindazol-4-one
PubChem CID6471207
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-methyl-6-(4-methylphenyl)-2,5,6,7-tetrahydroindazol-4-one
SMILESCc1ccc(C2CC(=O)c3c(n[nH]c3C)C2)cc1
InChIInChI=1S/C15H16N2O/c1-9-3-5-11(6-4-9)12-7-13-15(14(18)8-12)10(2)16-17-13/h3-6,12H,7-8H2,1-2H3,(H,16,17)
InChIKeyKIKNHUUQUMUDEP-UHFFFAOYSA-N
XLogP2.94
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 705460
4-[(4,5,6,7-Tetrahydro-6,6-dimethyl-4-oxo-2H-indazol-3-yl)methyl]benzonitrile
CID 145966191
6-(4-fluorophenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 6472978
3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738010
6-Phenyl-1,5,6,7-tetrahydroindazol-4-one
CID 6458957
3-[4-(dimethylamino)phenyl]-6,6-dimethyl-2,5,6,7-tetrahydro-4H-indazol-4-one
CID 3275143
3-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one
CID 4080514
3-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118737999
3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738012
3-(4-chlorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 712794
Indazol-4-one, 3-(4-dimethylaminophenyl)-1,5,6,7-tetrahydro-
CID 712807
(5-methyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone
CID 10777890

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-methylphenyl)-2,5,6,7-tetrahydroindazol-4-one?
The IUPAC name of 3-methyl-6-(4-methylphenyl)-2,5,6,7-tetrahydroindazol-4-one (CID 6471207) is 3-methyl-6-(4-methylphenyl)-2,5,6,7-tetrahydroindazol-4-one.
What is the SMILES notation for 3-methyl-6-(4-methylphenyl)-2,5,6,7-tetrahydroindazol-4-one?
The canonical SMILES for 3-methyl-6-(4-methylphenyl)-2,5,6,7-tetrahydroindazol-4-one is Cc1ccc(C2CC(=O)c3c(n[nH]c3C)C2)cc1.
What is the InChIKey of 3-methyl-6-(4-methylphenyl)-2,5,6,7-tetrahydroindazol-4-one?
The InChIKey is KIKNHUUQUMUDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-9-3-5-11(6-4-9)12-7-13-15(14(18)8-12)10(2)16-17-13/h3-6,12H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-6-(4-methylphenyl)-2,5,6,7-tetrahydroindazol-4-one?
3-methyl-6-(4-methylphenyl)-2,5,6,7-tetrahydroindazol-4-one has a molecular weight of 240.31 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-methylphenyl)-2,5,6,7-tetrahydroindazol-4-one is sourced from PubChem (CID 6471207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).