6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one

C15H16N2O — CID 3466503

IUPAC6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one
SMILESCC1(C)CC(=O)c2c(-c3ccccc3)n[nH]c2C1
InChIInChI=1S/C15H16N2O/c1-15(2)8-11-13(12(18)9-15)14(17-16-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,16,17)
InChIKeyJTXCNILJAGVMNA-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.23
Rot. Bonds1

About 6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one

6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one (PubChem CID 3466503) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one
PubChem CID3466503
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one
SMILESCC1(C)CC(=O)c2c(-c3ccccc3)n[nH]c2C1
InChIInChI=1S/C15H16N2O/c1-15(2)8-11-13(12(18)9-15)14(17-16-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,16,17)
InChIKeyJTXCNILJAGVMNA-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,6-dimethyl-3-pyridin-2-yl-5,7-dihydro-1H-indazol-4-one
CID 155979817
6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one
CID 712788
6,6-dimethyl-3-phenyl-1,4,5,7-tetrahydroindazol-4-ol
CID 66489150
6-(5-methylfuran-2-yl)-3-phenyl-1,5,6,7-tetrahydroindazol-4-one
CID 71668717
5-methyl-3,4-diphenyl-1H-pyridazin-6-one
CID 13078220
3-(2,3-dimethylanilino)-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one
CID 30327167
6,6-dimethyl-3-phenyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one
CID 70121924
5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one
CID 142736509
3-(3-chlorophenyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one
CID 83868818
4-anilino-7,7-dimethyl-2-phenyl-6,8-dihydroquinazolin-5-one
CID 91378745
5-[4-(dimethylamino)phenyl]-1,8,8-trimethyl-3-phenyl-7,9-dihydropyrazolo[3,4-c]isoquinolin-6-one
CID 27036334
3,7,7-trimethyl-4-(4-nitrophenyl)-2-phenyl-6,8-dihydroquinolin-5-one
CID 102112501

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one?
The IUPAC name of 6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one (CID 3466503) is 6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one.
What is the SMILES notation for 6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one?
The canonical SMILES for 6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one is CC1(C)CC(=O)c2c(-c3ccccc3)n[nH]c2C1.
What is the InChIKey of 6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one?
The InChIKey is JTXCNILJAGVMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-15(2)8-11-13(12(18)9-15)14(17-16-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,16,17).
What are the key properties of 6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one?
6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one has a molecular weight of 240.31 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one is sourced from PubChem (CID 3466503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).