2-cyclopentyl-5-(2-oxopropyl)-1H-pyrazol-3-one

C11H16N2O2 — CID 83883853

IUPAC2-cyclopentyl-5-(2-oxopropyl)-1H-pyrazol-3-one
SMILESCC(=O)Cc1cc(=O)n(C2CCCC2)[nH]1
InChIInChI=1S/C11H16N2O2/c1-8(14)6-9-7-11(15)13(12-9)10-4-2-3-5-10/h7,10,12H,2-6H2,1H3
InChIKeyXPQKRMIQVAOVJS-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.42
Rot. Bonds3

About 2-cyclopentyl-5-(2-oxopropyl)-1H-pyrazol-3-one

2-cyclopentyl-5-(2-oxopropyl)-1H-pyrazol-3-one (PubChem CID 83883853) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-cyclopentyl-5-(2-oxopropyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-cyclopentyl-5-(2-oxopropyl)-1H-pyrazol-3-one
PubChem CID83883853
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-cyclopentyl-5-(2-oxopropyl)-1H-pyrazol-3-one
SMILESCC(=O)Cc1cc(=O)n(C2CCCC2)[nH]1
InChIInChI=1S/C11H16N2O2/c1-8(14)6-9-7-11(15)13(12-9)10-4-2-3-5-10/h7,10,12H,2-6H2,1H3
InChIKeyXPQKRMIQVAOVJS-UHFFFAOYSA-N
XLogP1.42
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-(2-oxopropyl)-1H-pyrazol-3-one?
The IUPAC name of 2-cyclopentyl-5-(2-oxopropyl)-1H-pyrazol-3-one (CID 83883853) is 2-cyclopentyl-5-(2-oxopropyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-cyclopentyl-5-(2-oxopropyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-cyclopentyl-5-(2-oxopropyl)-1H-pyrazol-3-one is CC(=O)Cc1cc(=O)n(C2CCCC2)[nH]1.
What is the InChIKey of 2-cyclopentyl-5-(2-oxopropyl)-1H-pyrazol-3-one?
The InChIKey is XPQKRMIQVAOVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(14)6-9-7-11(15)13(12-9)10-4-2-3-5-10/h7,10,12H,2-6H2,1H3.
What are the key properties of 2-cyclopentyl-5-(2-oxopropyl)-1H-pyrazol-3-one?
2-cyclopentyl-5-(2-oxopropyl)-1H-pyrazol-3-one has a molecular weight of 208.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-(2-oxopropyl)-1H-pyrazol-3-one is sourced from PubChem (CID 83883853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).