1-benzyl-3-ethyl-6,7-dihydro-5H-indazol-4-one

C16H18N2O — CID 82590651

IUPAC1-benzyl-3-ethyl-6,7-dihydro-5H-indazol-4-one
SMILESCCc1nn(Cc2ccccc2)c2c1C(=O)CCC2
InChIInChI=1S/C16H18N2O/c1-2-13-16-14(9-6-10-15(16)19)18(17-13)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3
InChIKeyFAUGNYDFGQKPRL-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.01
Rot. Bonds3

About 1-benzyl-3-ethyl-6,7-dihydro-5H-indazol-4-one

1-benzyl-3-ethyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 82590651) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-benzyl-3-ethyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-benzyl-3-ethyl-6,7-dihydro-5H-indazol-4-one
PubChem CID82590651
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-benzyl-3-ethyl-6,7-dihydro-5H-indazol-4-one
SMILESCCc1nn(Cc2ccccc2)c2c1C(=O)CCC2
InChIInChI=1S/C16H18N2O/c1-2-13-16-14(9-6-10-15(16)19)18(17-13)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3
InChIKeyFAUGNYDFGQKPRL-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(1-phenylethyl)-6,7-dihydro-5H-indazol-4-one
CID 82590685
3-ethyl-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one
CID 82590512
1-benzyl-3-(bromomethyl)-4,5,6,7-tetrahydroindazole
CID 10614502
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-methyl-3-(phenoxymethyl)-6,7-dihydro-5H-indazol-4-one
CID 82590474
1-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile
CID 82591134
1-benzyl-3,5-diethylpyrazol-4-amine
CID 82702837
1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 58713629
(1-benzyl-3,5-diethylpyrazol-4-yl)-pyrrolidin-1-ylmethanone
CID 42820297
3-methyl-2-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one
CID 141011928
1-benzyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 59836272

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-ethyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-benzyl-3-ethyl-6,7-dihydro-5H-indazol-4-one (CID 82590651) is 1-benzyl-3-ethyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-benzyl-3-ethyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-benzyl-3-ethyl-6,7-dihydro-5H-indazol-4-one is CCc1nn(Cc2ccccc2)c2c1C(=O)CCC2.
What is the InChIKey of 1-benzyl-3-ethyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is FAUGNYDFGQKPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-13-16-14(9-6-10-15(16)19)18(17-13)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3.
What are the key properties of 1-benzyl-3-ethyl-6,7-dihydro-5H-indazol-4-one?
1-benzyl-3-ethyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 254.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-ethyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 82590651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).