6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one

C21H20N2O — CID 17067795

IUPAC6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
SMILESCc1ccc(-n2ncc3c2CC(c2ccccc2C)CC3=O)cc1
InChIInChI=1S/C21H20N2O/c1-14-7-9-17(10-8-14)23-20-11-16(12-21(24)19(20)13-22-23)18-6-4-3-5-15(18)2/h3-10,13,16H,11-12H2,1-2H3
InChIKeyGTKCTMJVHDNCDI-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.40
Rot. Bonds2

About 6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one

6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 17067795) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID17067795
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
SMILESCc1ccc(-n2ncc3c2CC(c2ccccc2C)CC3=O)cc1
InChIInChI=1S/C21H20N2O/c1-14-7-9-17(10-8-14)23-20-11-16(12-21(24)19(20)13-22-23)18-6-4-3-5-15(18)2/h3-10,13,16H,11-12H2,1-2H3
InChIKeyGTKCTMJVHDNCDI-UHFFFAOYSA-N
XLogP4.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one (CID 17067795) is 6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one is Cc1ccc(-n2ncc3c2CC(c2ccccc2C)CC3=O)cc1.
What is the InChIKey of 6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is GTKCTMJVHDNCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-14-7-9-17(10-8-14)23-20-11-16(12-21(24)19(20)13-22-23)18-6-4-3-5-15(18)2/h3-10,13,16H,11-12H2,1-2H3.
What are the key properties of 6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one?
6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 316.40 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 17067795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).