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

C15H16N2O2 — CID 29101010

IUPAC(6S)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCOc1ccc(-n2ncc3c2C[C@H](C)CC3=O)cc1
InChIInChI=1S/C15H16N2O2/c1-10-7-14-13(15(18)8-10)9-16-17(14)11-3-5-12(19-2)6-4-11/h3-6,9-10H,7-8H2,1-2H3/t10-/m0/s1
InChIKeyAJRJBNDCTULWPI-JTQLQIEISA-N
MW256.31 g/mol
LogP2.65
Rot. Bonds2

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

(6S)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 29101010) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (6S)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name(6S)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
PubChem CID29101010
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(6S)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCOc1ccc(-n2ncc3c2C[C@H](C)CC3=O)cc1
InChIInChI=1S/C15H16N2O2/c1-10-7-14-13(15(18)8-10)9-16-17(14)11-3-5-12(19-2)6-4-11/h3-6,9-10H,7-8H2,1-2H3/t10-/m0/s1
InChIKeyAJRJBNDCTULWPI-JTQLQIEISA-N
XLogP2.65
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indazol-4-one
CID 53418826
(6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 26433714
(6R)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 40771985
(6S)-1-(4-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 124634319
(6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 7447090
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
(6R)-1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 41387165
1-(2-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 53415447
3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 17035497
(6S)-1-(2,5-dimethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 124634295
N-(4-methoxyphenyl)-4-(4-oxo-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide
CID 164626870

Frequently Asked Questions

What is the IUPAC name of (6S)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of (6S)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one (CID 29101010) is (6S)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for (6S)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for (6S)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one is COc1ccc(-n2ncc3c2C[C@H](C)CC3=O)cc1.
What is the InChIKey of (6S)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is AJRJBNDCTULWPI-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-7-14-13(15(18)8-10)9-16-17(14)11-3-5-12(19-2)6-4-11/h3-6,9-10H,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (6S)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
(6S)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 256.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 29101010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).