3-methyl-2-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one

C16H18N2O — CID 141011928

IUPAC3-methyl-2-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one
SMILESCc1c2c(nn1CCc1ccccc1)CCCC2=O
InChIInChI=1S/C16H18N2O/c1-12-16-14(8-5-9-15(16)19)17-18(12)11-10-13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3
InChIKeyDJZLDMMQKLPPGQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.95
Rot. Bonds3

About 3-methyl-2-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one

3-methyl-2-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 141011928) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-methyl-2-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name3-methyl-2-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID141011928
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-methyl-2-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one
SMILESCc1c2c(nn1CCc1ccccc1)CCCC2=O
InChIInChI=1S/C16H18N2O/c1-12-16-14(8-5-9-15(16)19)17-18(12)11-10-13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3
InChIKeyDJZLDMMQKLPPGQ-UHFFFAOYSA-N
XLogP2.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one
CID 82590693
4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indazole-3-carbonitrile
CID 82591124
1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone
CID 55110817
N,N-dimethyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]acetamide
CID 42457455
1-benzyl-3-ethyl-6,7-dihydro-5H-indazol-4-one
CID 82590651
3,5-dimethyl-1-(2-phenylethyl)pyrazole-4-sulfonyl chloride
CID 54929599
1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-1-ol
CID 62732173
7-methyl-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one
CID 101078724
2-[2-methyl-4-oxo-1-(3-phenylpropyl)-6,7-dihydro-5H-indol-3-yl]acetamide
CID 72899564
3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-1-(2-phenylethyl)-6,7-dihydro-5H-indol-4-one
CID 25460872
3-ethyl-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748824
2-(4-benzylpiperidin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 16653001

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 3-methyl-2-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one (CID 141011928) is 3-methyl-2-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 3-methyl-2-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 3-methyl-2-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one is Cc1c2c(nn1CCc1ccccc1)CCCC2=O.
What is the InChIKey of 3-methyl-2-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is DJZLDMMQKLPPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-16-14(8-5-9-15(16)19)17-18(12)11-10-13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3.
What are the key properties of 3-methyl-2-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one?
3-methyl-2-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 254.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 141011928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).