3-ethyl-1-methylindeno[2,1-d]pyrazol-4-one

C13H12N2O — CID 15194305

IUPAC3-ethyl-1-methylindeno[2,1-d]pyrazol-4-one
SMILESCCc1nn(C)c2c1C(=O)c1ccccc1-2
InChIInChI=1S/C13H12N2O/c1-3-10-11-12(15(2)14-10)8-6-4-5-7-9(8)13(11)16/h4-7H,3H2,1-2H3
InChIKeyFKRPWENEWWIWGO-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.19
Rot. Bonds1

About 3-ethyl-1-methylindeno[2,1-d]pyrazol-4-one

3-ethyl-1-methylindeno[2,1-d]pyrazol-4-one (PubChem CID 15194305) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-ethyl-1-methylindeno[2,1-d]pyrazol-4-one.

Molecular Properties

Compound Name3-ethyl-1-methylindeno[2,1-d]pyrazol-4-one
PubChem CID15194305
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name3-ethyl-1-methylindeno[2,1-d]pyrazol-4-one
SMILESCCc1nn(C)c2c1C(=O)c1ccccc1-2
InChIInChI=1S/C13H12N2O/c1-3-10-11-12(15(2)14-10)8-6-4-5-7-9(8)13(11)16/h4-7H,3H2,1-2H3
InChIKeyFKRPWENEWWIWGO-UHFFFAOYSA-N
XLogP2.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 58923354
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CID 12847969
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6-[3-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione;ethane
CID 158110774
3-ethoxy-1-phenylbenzo[f]indazole-4,9-dione
CID 163283714
5-(2-ethylphenyl)-3-methyl-1,3,4-oxadiazol-2-one
CID 141330846
5-but-2-ynoxy-6-ethyl-2-methyl-4-(2-methylphenyl)pyridazin-3-one
CID 58092166
3-(2-methylpropyl)benzo[f]benzimidazole-4,9-dione
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1,3-diethylanthracene-9,10-dione
CID 22321054
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CID 102140623

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylindeno[2,1-d]pyrazol-4-one?
The IUPAC name of 3-ethyl-1-methylindeno[2,1-d]pyrazol-4-one (CID 15194305) is 3-ethyl-1-methylindeno[2,1-d]pyrazol-4-one.
What is the SMILES notation for 3-ethyl-1-methylindeno[2,1-d]pyrazol-4-one?
The canonical SMILES for 3-ethyl-1-methylindeno[2,1-d]pyrazol-4-one is CCc1nn(C)c2c1C(=O)c1ccccc1-2.
What is the InChIKey of 3-ethyl-1-methylindeno[2,1-d]pyrazol-4-one?
The InChIKey is FKRPWENEWWIWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-3-10-11-12(15(2)14-10)8-6-4-5-7-9(8)13(11)16/h4-7H,3H2,1-2H3.
What are the key properties of 3-ethyl-1-methylindeno[2,1-d]pyrazol-4-one?
3-ethyl-1-methylindeno[2,1-d]pyrazol-4-one has a molecular weight of 212.25 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylindeno[2,1-d]pyrazol-4-one is sourced from PubChem (CID 15194305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).