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

C19H14Cl2N2O — CID 40917572

IUPAC(6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1C[C@@H](c2ccc(Cl)cc2)Cc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2N2O/c20-14-3-1-12(2-4-14)13-9-18-17(19(24)10-13)11-22-23(18)16-7-5-15(21)6-8-16/h1-8,11,13H,9-10H2/t13-/m0/s1
InChIKeyNDJXEOHRBLXQNV-ZDUSSCGKSA-N
MW357.24 g/mol
LogP5.09
Rot. Bonds2

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

(6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 40917572) has the molecular formula C19H14Cl2N2O and a molecular weight of 357.24 g/mol. Its IUPAC name is (6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name(6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID40917572
Molecular FormulaC19H14Cl2N2O
Molecular Weight357.24 g/mol
Exact Mass356.05
IUPAC Name(6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1C[C@@H](c2ccc(Cl)cc2)Cc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2N2O/c20-14-3-1-12(2-4-14)13-9-18-17(19(24)10-13)11-22-23(18)16-7-5-15(21)6-8-16/h1-8,11,13H,9-10H2/t13-/m0/s1
InChIKeyNDJXEOHRBLXQNV-ZDUSSCGKSA-N
XLogP5.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.24
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17228221
(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
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
(6R)-1-(3-methylphenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 29100843
8-(4-chlorophenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66506064
8-(4-chlorophenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 66505994
6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17228245
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
1-(4,6-dimethylpyrimidin-2-yl)-6-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 4888861

Frequently Asked Questions

What is the IUPAC name of (6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of (6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one (CID 40917572) is (6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for (6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for (6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one is O=C1C[C@@H](c2ccc(Cl)cc2)Cc2c1cnn2-c1ccc(Cl)cc1.
What is the InChIKey of (6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is NDJXEOHRBLXQNV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H14Cl2N2O/c20-14-3-1-12(2-4-14)13-9-18-17(19(24)10-13)11-22-23(18)16-7-5-15(21)6-8-16/h1-8,11,13H,9-10H2/t13-/m0/s1.
What are the key properties of (6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one?
(6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 357.24 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 40917572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).