3-ethyl-1-(1-phenylethyl)-6,7-dihydro-5H-indazol-4-one

C17H20N2O — CID 82590685

IUPAC3-ethyl-1-(1-phenylethyl)-6,7-dihydro-5H-indazol-4-one
SMILESCCc1nn(C(C)c2ccccc2)c2c1C(=O)CCC2
InChIInChI=1S/C17H20N2O/c1-3-14-17-15(10-7-11-16(17)20)19(18-14)12(2)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3
InChIKeyACIHNKVJGIJXAQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.57
Rot. Bonds3

About 3-ethyl-1-(1-phenylethyl)-6,7-dihydro-5H-indazol-4-one

3-ethyl-1-(1-phenylethyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 82590685) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-ethyl-1-(1-phenylethyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name3-ethyl-1-(1-phenylethyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID82590685
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-ethyl-1-(1-phenylethyl)-6,7-dihydro-5H-indazol-4-one
SMILESCCc1nn(C(C)c2ccccc2)c2c1C(=O)CCC2
InChIInChI=1S/C17H20N2O/c1-3-14-17-15(10-7-11-16(17)20)19(18-14)12(2)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3
InChIKeyACIHNKVJGIJXAQ-UHFFFAOYSA-N
XLogP3.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-ethyl-6,7-dihydro-5H-indazol-4-one
CID 82590651
3,5-diethyl-1-(1-phenylethyl)pyrazol-4-amine
CID 82702115
3-oxo-6-(1-phenylethyl)-1,2,4,5-tetrahydropyrazolo[3,4-e]indazole-8-carboxylic acid
CID 110458477
1-methyl-3-(phenoxymethyl)-6,7-dihydro-5H-indazol-4-one
CID 82590474
methyl 3-ethyl-5-methyl-1-(1-phenylethyl)pyrazole-4-carboxylate
CID 152766638
1,3-di(propan-2-yl)-6,7-dihydro-5H-indazol-4-one
CID 82590514
3-butyl-1-(2-fluorophenyl)-6,7-dihydro-5H-indazol-4-one
CID 4988994
4-ethyl-7,8-dihydro-6H-quinazolin-5-one
CID 122697023
3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one
CID 82590693
2-(9,10-dioxo-7,8-dihydro-6H-indeno[1,2-b]indol-5-yl)propanoic acid
CID 66636870
1-(3-fluorophenyl)-3-propan-2-yl-6,7-dihydro-5H-indazol-4-one
CID 82591029
2-(1-phenylethyl)-4H-1,2,4-triazol-3-one
CID 137099420

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-phenylethyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 3-ethyl-1-(1-phenylethyl)-6,7-dihydro-5H-indazol-4-one (CID 82590685) is 3-ethyl-1-(1-phenylethyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 3-ethyl-1-(1-phenylethyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 3-ethyl-1-(1-phenylethyl)-6,7-dihydro-5H-indazol-4-one is CCc1nn(C(C)c2ccccc2)c2c1C(=O)CCC2.
What is the InChIKey of 3-ethyl-1-(1-phenylethyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is ACIHNKVJGIJXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-14-17-15(10-7-11-16(17)20)19(18-14)12(2)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3.
What are the key properties of 3-ethyl-1-(1-phenylethyl)-6,7-dihydro-5H-indazol-4-one?
3-ethyl-1-(1-phenylethyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 268.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-phenylethyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 82590685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).