(6S)-1-(2,5-dimethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one

C16H18N2O — CID 124634295

IUPAC(6S)-1-(2,5-dimethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCc1ccc(C)c(-n2ncc3c2C[C@H](C)CC3=O)c1
InChIInChI=1S/C16H18N2O/c1-10-4-5-12(3)14(6-10)18-15-7-11(2)8-16(19)13(15)9-17-18/h4-6,9,11H,7-8H2,1-3H3/t11-/m0/s1
InChIKeyKHZAWOUNYIKDGG-NSHDSACASA-N
MW254.33 g/mol
LogP3.25
Rot. Bonds1

About (6S)-1-(2,5-dimethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one

(6S)-1-(2,5-dimethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 124634295) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (6S)-1-(2,5-dimethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name(6S)-1-(2,5-dimethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
PubChem CID124634295
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(6S)-1-(2,5-dimethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCc1ccc(C)c(-n2ncc3c2C[C@H](C)CC3=O)c1
InChIInChI=1S/C16H18N2O/c1-10-4-5-12(3)14(6-10)18-15-7-11(2)8-16(19)13(15)9-17-18/h4-6,9,11H,7-8H2,1-3H3/t11-/m0/s1
InChIKeyKHZAWOUNYIKDGG-NSHDSACASA-N
XLogP3.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 53415447
(6S)-1-(4-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 124634319
1-(2,6-dichlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 53415414
(6R)-1-(3-methylphenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 29100843
6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17067795
1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17079297
(3R)-3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]-1-methylpyrrolidin-2-one
CID 99616166
1-(2,5-dimethylphenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 117021749
5-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528529
N-[[5-cyclopropyl-1-(2,5-dimethylphenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66442303
[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone
CID 138031620
1-(2,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 66441025

Frequently Asked Questions

What is the IUPAC name of (6S)-1-(2,5-dimethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of (6S)-1-(2,5-dimethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one (CID 124634295) is (6S)-1-(2,5-dimethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for (6S)-1-(2,5-dimethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for (6S)-1-(2,5-dimethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one is Cc1ccc(C)c(-n2ncc3c2C[C@H](C)CC3=O)c1.
What is the InChIKey of (6S)-1-(2,5-dimethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is KHZAWOUNYIKDGG-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O/c1-10-4-5-12(3)14(6-10)18-15-7-11(2)8-16(19)13(15)9-17-18/h4-6,9,11H,7-8H2,1-3H3/t11-/m0/s1.
What are the key properties of (6S)-1-(2,5-dimethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
(6S)-1-(2,5-dimethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 254.33 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-(2,5-dimethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 124634295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).