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

C21H20N2O — CID 29100843

IUPAC(6R)-1-(3-methylphenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
SMILESCc1ccc([C@H]2CC(=O)c3cnn(-c4cccc(C)c4)c3C2)cc1
InChIInChI=1S/C21H20N2O/c1-14-6-8-16(9-7-14)17-11-20-19(21(24)12-17)13-22-23(20)18-5-3-4-15(2)10-18/h3-10,13,17H,11-12H2,1-2H3/t17-/m1/s1
InChIKeyDVANYKMNCGQSQP-QGZVFWFLSA-N
MW316.40 g/mol
LogP4.40
Rot. Bonds2

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

(6R)-1-(3-methylphenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 29100843) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is (6R)-1-(3-methylphenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name(6R)-1-(3-methylphenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID29100843
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name(6R)-1-(3-methylphenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
SMILESCc1ccc([C@H]2CC(=O)c3cnn(-c4cccc(C)c4)c3C2)cc1
InChIInChI=1S/C21H20N2O/c1-14-6-8-16(9-7-14)17-11-20-19(21(24)12-17)13-22-23(20)18-5-3-4-15(2)10-18/h3-10,13,17H,11-12H2,1-2H3/t17-/m1/s1
InChIKeyDVANYKMNCGQSQP-QGZVFWFLSA-N
XLogP4.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.40
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
1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17079297
(6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 7447090
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
(6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 26433714
1-(4,6-dimethylpyrimidin-2-yl)-6-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 4888861
6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17228245
(6S)-1-(2,5-dimethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 124634295
(6S)-3-methyl-1-(3-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 29100926
8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505822
4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one
CID 126527319

Frequently Asked Questions

What is the IUPAC name of (6R)-1-(3-methylphenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of (6R)-1-(3-methylphenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one (CID 29100843) is (6R)-1-(3-methylphenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for (6R)-1-(3-methylphenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for (6R)-1-(3-methylphenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one is Cc1ccc([C@H]2CC(=O)c3cnn(-c4cccc(C)c4)c3C2)cc1.
What is the InChIKey of (6R)-1-(3-methylphenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is DVANYKMNCGQSQP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N2O/c1-14-6-8-16(9-7-14)17-11-20-19(21(24)12-17)13-22-23(20)18-5-3-4-15(2)10-18/h3-10,13,17H,11-12H2,1-2H3/t17-/m1/s1.
What are the key properties of (6R)-1-(3-methylphenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one?
(6R)-1-(3-methylphenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 316.40 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(3-methylphenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 29100843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).