1-(4-methoxyphenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one

C17H20N2O2 — CID 15185486

IUPAC1-(4-methoxyphenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
SMILESCOc1ccc(-n2nc(C)c3c2CC(C)(C)CC3=O)cc1
InChIInChI=1S/C17H20N2O2/c1-11-16-14(9-17(2,3)10-15(16)20)19(18-11)12-5-7-13(21-4)8-6-12/h5-8H,9-10H2,1-4H3
InChIKeySIEMMYUIIJKHLU-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.34
Rot. Bonds2

About 1-(4-methoxyphenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one

1-(4-methoxyphenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one (PubChem CID 15185486) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
PubChem CID15185486
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(4-methoxyphenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
SMILESCOc1ccc(-n2nc(C)c3c2CC(C)(C)CC3=O)cc1
InChIInChI=1S/C17H20N2O2/c1-11-16-14(9-17(2,3)10-15(16)20)19(18-11)12-5-7-13(21-4)8-6-12/h5-8H,9-10H2,1-4H3
InChIKeySIEMMYUIIJKHLU-UHFFFAOYSA-N
XLogP3.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methoxyphenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
CID 656965
1-(5-chloro-2-methoxyphenyl)-3-propyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 713301
1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-3-propyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 713295
3-butyl-1-(5-chloro-2-methoxyphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 5201576
1-(5-chloro-2-methoxyphenyl)-3-ethyl-6,7-dihydro-5H-indazol-4-one
CID 713289
1-(4-methoxyphenyl)-2-phenyl-1,5,6,7-tetrahydro-4H-indol-4-one
CID 1483745
3-butyl-1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 3985378
Methyl 4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzoate
CID 4247619
3-(4-Tert-butylphenyl)-2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydroindazol-4-one
CID 56835114
3-(4-Tert-butylphenyl)-2-(3,4-dimethoxyphenyl)-6,6-dimethyl-5,7-dihydroindazol-4-one
CID 57398518
3-(3,4-Dichlorophenyl)-2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydroindazol-4-one
CID 57402051
3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 57402054

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one?
The IUPAC name of 1-(4-methoxyphenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one (CID 15185486) is 1-(4-methoxyphenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one is COc1ccc(-n2nc(C)c3c2CC(C)(C)CC3=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one?
The InChIKey is SIEMMYUIIJKHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-16-14(9-17(2,3)10-15(16)20)19(18-11)12-5-7-13(21-4)8-6-12/h5-8H,9-10H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one?
1-(4-methoxyphenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one has a molecular weight of 284.36 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one is sourced from PubChem (CID 15185486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).