1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one

C21H20N2O2 — CID 17079297

IUPAC1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one
SMILESCOc1ccc(-n2ncc3c2CC(c2cccc(C)c2)CC3=O)cc1
InChIInChI=1S/C21H20N2O2/c1-14-4-3-5-15(10-14)16-11-20-19(21(24)12-16)13-22-23(20)17-6-8-18(25-2)9-7-17/h3-10,13,16H,11-12H2,1-2H3
InChIKeyNGZLYEKFIAOZMD-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.10
Rot. Bonds3

About 1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one

1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 17079297) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID17079297
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one
SMILESCOc1ccc(-n2ncc3c2CC(c2cccc(C)c2)CC3=O)cc1
InChIInChI=1S/C21H20N2O2/c1-14-4-3-5-15(10-14)16-11-20-19(21(24)12-16)13-22-23(20)17-6-8-18(25-2)9-7-17/h3-10,13,16H,11-12H2,1-2H3
InChIKeyNGZLYEKFIAOZMD-UHFFFAOYSA-N
XLogP4.10
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 26433714
6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17228245
(6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 7447090
(6R)-1-(3-methylphenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 29100843
(6S)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 29101010
6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17228221
6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17067795
(6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one
CID 40917572
2-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 17035365
(6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 29101050
2-cyclohexyl-8-(3-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66508115
6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indazol-4-one
CID 53418826

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one (CID 17079297) is 1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one is COc1ccc(-n2ncc3c2CC(c2cccc(C)c2)CC3=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is NGZLYEKFIAOZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-14-4-3-5-15(10-14)16-11-20-19(21(24)12-16)13-22-23(20)17-6-8-18(25-2)9-7-17/h3-10,13,16H,11-12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one?
1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 332.40 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 17079297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).