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

C9H12N2O — CID 19371776

IUPAC1-ethyl-6,7-dihydro-5H-indazol-4-one
SMILESCCn1ncc2c1CCCC2=O
InChIInChI=1S/C9H12N2O/c1-2-11-8-4-3-5-9(12)7(8)6-10-11/h6H,2-5H2,1H3
InChIKeyYZOKZEMLMLOGTL-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.42
Rot. Bonds1

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

1-ethyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 19371776) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-ethyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-ethyl-6,7-dihydro-5H-indazol-4-one
PubChem CID19371776
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-ethyl-6,7-dihydro-5H-indazol-4-one
SMILESCCn1ncc2c1CCCC2=O
InChIInChI=1S/C9H12N2O/c1-2-11-8-4-3-5-9(12)7(8)6-10-11/h6H,2-5H2,1H3
InChIKeyYZOKZEMLMLOGTL-UHFFFAOYSA-N
XLogP1.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Hydroxyethyl)-3-Methyl-6,7-Dihydro-5~{h}-Indazol-4-One
CID 660882
1-Methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 2765796
5-bromo-1-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one
CID 166627203
5,5-Dibromo-1-(cyclopropanecarbonyl)-6,7-dihydroindazol-4-one
CID 166630218
2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one
CID 166632413
1-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one
CID 166632542
1-(1,3-Dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluoro-1,3-butanedione
CID 11345326
1,3-bis(1,3-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione
CID 19588111
1-(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridin-3-yl)ethanone
CID 14435009
4-oxo-6,7-dihydro-5H-indazole-1-carboximidamide;hydrochloride
CID 354982
1,2-Diethyl-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydroindazolium iodide
CID 9550227
5-Dipropylamino-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 11694483

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-ethyl-6,7-dihydro-5H-indazol-4-one (CID 19371776) is 1-ethyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-ethyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-ethyl-6,7-dihydro-5H-indazol-4-one is CCn1ncc2c1CCCC2=O.
What is the InChIKey of 1-ethyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is YZOKZEMLMLOGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-11-8-4-3-5-9(12)7(8)6-10-11/h6H,2-5H2,1H3.
What are the key properties of 1-ethyl-6,7-dihydro-5H-indazol-4-one?
1-ethyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 164.21 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 19371776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).