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

C16H18N2O — CID 124634303

IUPAC(6S)-1-(2-ethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCCc1ccccc1-n1ncc2c1C[C@H](C)CC2=O
InChIInChI=1S/C16H18N2O/c1-3-12-6-4-5-7-14(12)18-15-8-11(2)9-16(19)13(15)10-17-18/h4-7,10-11H,3,8-9H2,1-2H3/t11-/m0/s1
InChIKeyJSGDVGPMSBSKFF-NSHDSACASA-N
MW254.33 g/mol
LogP3.20
Rot. Bonds2

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

(6S)-1-(2-ethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 124634303) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (6S)-1-(2-ethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name(6S)-1-(2-ethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
PubChem CID124634303
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(6S)-1-(2-ethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCCc1ccccc1-n1ncc2c1C[C@H](C)CC2=O
InChIInChI=1S/C16H18N2O/c1-3-12-6-4-5-7-14(12)18-15-8-11(2)9-16(19)13(15)10-17-18/h4-7,10-11H,3,8-9H2,1-2H3/t11-/m0/s1
InChIKeyJSGDVGPMSBSKFF-NSHDSACASA-N
XLogP3.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-(2-ethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of (6S)-1-(2-ethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one (CID 124634303) is (6S)-1-(2-ethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for (6S)-1-(2-ethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for (6S)-1-(2-ethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one is CCc1ccccc1-n1ncc2c1C[C@H](C)CC2=O.
What is the InChIKey of (6S)-1-(2-ethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is JSGDVGPMSBSKFF-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-12-6-4-5-7-14(12)18-15-8-11(2)9-16(19)13(15)10-17-18/h4-7,10-11H,3,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (6S)-1-(2-ethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
(6S)-1-(2-ethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 254.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-(2-ethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 124634303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).