4-acetyl-1-ethyl-2H-indazol-3-one

C11H12N2O2 — CID 105456085

IUPAC4-acetyl-1-ethyl-2H-indazol-3-one
SMILESCCn1[nH]c(=O)c2c(C(C)=O)cccc21
InChIInChI=1S/C11H12N2O2/c1-3-13-9-6-4-5-8(7(2)14)10(9)11(15)12-13/h4-6H,3H2,1-2H3,(H,12,15)
InChIKeyVMEBPSQVWLABQS-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.55
Rot. Bonds2

About 4-acetyl-1-ethyl-2H-indazol-3-one

4-acetyl-1-ethyl-2H-indazol-3-one (PubChem CID 105456085) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-acetyl-1-ethyl-2H-indazol-3-one.

Molecular Properties

Compound Name4-acetyl-1-ethyl-2H-indazol-3-one
PubChem CID105456085
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-acetyl-1-ethyl-2H-indazol-3-one
SMILESCCn1[nH]c(=O)c2c(C(C)=O)cccc21
InChIInChI=1S/C11H12N2O2/c1-3-13-9-6-4-5-8(7(2)14)10(9)11(15)12-13/h4-6H,3H2,1-2H3,(H,12,15)
InChIKeyVMEBPSQVWLABQS-UHFFFAOYSA-N
XLogP1.55
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethyl-4-methylindol-3-yl)ethanone
CID 117119610
5-acetyl-1-methylquinoxalin-2-one
CID 141436972
ethyl 3-oxo-4-(pentylcarbamoyl)-2H-indazole-1-carboxylate
CID 14898749
1-[1-ethyl-4-(trifluoromethyl)indol-3-yl]ethanone
CID 117119559
1-(2-acetylphenyl)ethanone;methane
CID 158210616
3-[(3-acetyl-2-pyridinyl)sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 114055722
1-(4-hydroxy-1-methylindol-3-yl)ethanone
CID 82655872
1-(2-ethoxy-3-methylphenyl)ethanone
CID 82074964
9-ethyl-5-hydroxycarbazole-4-carboxamide
CID 59934183
N-ethyl-2-methyl-3-oxo-1H-indazole-4-carboxamide
CID 19750784
1-(3-acetyl-2-amino-1H-indol-4-yl)ethanone
CID 158702400
1-(1,4-dimethylindol-3-yl)ethanone
CID 82655711

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-ethyl-2H-indazol-3-one?
The IUPAC name of 4-acetyl-1-ethyl-2H-indazol-3-one (CID 105456085) is 4-acetyl-1-ethyl-2H-indazol-3-one.
What is the SMILES notation for 4-acetyl-1-ethyl-2H-indazol-3-one?
The canonical SMILES for 4-acetyl-1-ethyl-2H-indazol-3-one is CCn1[nH]c(=O)c2c(C(C)=O)cccc21.
What is the InChIKey of 4-acetyl-1-ethyl-2H-indazol-3-one?
The InChIKey is VMEBPSQVWLABQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-13-9-6-4-5-8(7(2)14)10(9)11(15)12-13/h4-6H,3H2,1-2H3,(H,12,15).
What are the key properties of 4-acetyl-1-ethyl-2H-indazol-3-one?
4-acetyl-1-ethyl-2H-indazol-3-one has a molecular weight of 204.23 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-ethyl-2H-indazol-3-one is sourced from PubChem (CID 105456085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).