1-(4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone

C9H11FN2O — CID 105439974

IUPAC1-(4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone
SMILESCC(=O)c1nn(C)c2c1C(F)CC2
InChIInChI=1S/C9H11FN2O/c1-5(13)9-8-6(10)3-4-7(8)12(2)11-9/h6H,3-4H2,1-2H3
InChIKeyZVDZMOLKPSAIRG-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.58
Rot. Bonds1

About 1-(4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone

1-(4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone (PubChem CID 105439974) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 1-(4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone
PubChem CID105439974
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name1-(4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone
SMILESCC(=O)c1nn(C)c2c1C(F)CC2
InChIInChI=1S/C9H11FN2O/c1-5(13)9-8-6(10)3-4-7(8)12(2)11-9/h6H,3-4H2,1-2H3
InChIKeyZVDZMOLKPSAIRG-UHFFFAOYSA-N
XLogP1.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone?
The IUPAC name of 1-(4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone (CID 105439974) is 1-(4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone?
The canonical SMILES for 1-(4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone is CC(=O)c1nn(C)c2c1C(F)CC2.
What is the InChIKey of 1-(4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone?
The InChIKey is ZVDZMOLKPSAIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-5(13)9-8-6(10)3-4-7(8)12(2)11-9/h6H,3-4H2,1-2H3.
What are the key properties of 1-(4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone?
1-(4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone has a molecular weight of 182.20 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone is sourced from PubChem (CID 105439974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).