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

C20H17ClN2O — CID 17228221

IUPAC6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
SMILESCc1ccc(-n2ncc3c2CC(c2ccc(Cl)cc2)CC3=O)cc1
InChIInChI=1S/C20H17ClN2O/c1-13-2-8-17(9-3-13)23-19-10-15(11-20(24)18(19)12-22-23)14-4-6-16(21)7-5-14/h2-9,12,15H,10-11H2,1H3
InChIKeyXXGNGEYGPVFSEM-UHFFFAOYSA-N
MW336.82 g/mol
LogP4.75
Rot. Bonds2

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

6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 17228221) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID17228221
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC Name6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
SMILESCc1ccc(-n2ncc3c2CC(c2ccc(Cl)cc2)CC3=O)cc1
InChIInChI=1S/C20H17ClN2O/c1-13-2-8-17(9-3-13)23-19-10-15(11-20(24)18(19)12-22-23)14-4-6-16(21)7-5-14/h2-9,12,15H,10-11H2,1H3
InChIKeyXXGNGEYGPVFSEM-UHFFFAOYSA-N
XLogP4.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one
CID 40917572
(6R)-1-(3-methylphenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 29100843
(6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 26433714
(6S)-1-(4-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 124634319
6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17067795
N-(4-chlorophenyl)-4-(4-oxo-6-phenyl-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide
CID 164625286
(6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 7447090
1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17079297
1-(4-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-indazol-4-one
CID 17228188
6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17228245
1-(4,6-dimethylpyrimidin-2-yl)-6-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 4888861
8-(4-chlorophenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66506064

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one (CID 17228221) is 6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one is Cc1ccc(-n2ncc3c2CC(c2ccc(Cl)cc2)CC3=O)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is XXGNGEYGPVFSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c1-13-2-8-17(9-3-13)23-19-10-15(11-20(24)18(19)12-22-23)14-4-6-16(21)7-5-14/h2-9,12,15H,10-11H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one?
6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 336.82 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 17228221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).