2-cyclopentyl-5-methyl-1H-pyrazol-3-one

C9H14N2O — CID 66023346

IUPAC2-cyclopentyl-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(C2CCCC2)[nH]1
InChIInChI=1S/C9H14N2O/c1-7-6-9(12)11(10-7)8-4-2-3-5-8/h6,8,10H,2-5H2,1H3
InChIKeyDANZUZUAEYUTKB-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.60
Rot. Bonds1

About 2-cyclopentyl-5-methyl-1H-pyrazol-3-one

2-cyclopentyl-5-methyl-1H-pyrazol-3-one (PubChem CID 66023346) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-cyclopentyl-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-cyclopentyl-5-methyl-1H-pyrazol-3-one
PubChem CID66023346
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-cyclopentyl-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(C2CCCC2)[nH]1
InChIInChI=1S/C9H14N2O/c1-7-6-9(12)11(10-7)8-4-2-3-5-8/h6,8,10H,2-5H2,1H3
InChIKeyDANZUZUAEYUTKB-UHFFFAOYSA-N
XLogP1.60
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-cyclopentyl-5-methyl-1H-pyrazol-3-one (CID 66023346) is 2-cyclopentyl-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-cyclopentyl-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-cyclopentyl-5-methyl-1H-pyrazol-3-one is Cc1cc(=O)n(C2CCCC2)[nH]1.
What is the InChIKey of 2-cyclopentyl-5-methyl-1H-pyrazol-3-one?
The InChIKey is DANZUZUAEYUTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-6-9(12)11(10-7)8-4-2-3-5-8/h6,8,10H,2-5H2,1H3.
What are the key properties of 2-cyclopentyl-5-methyl-1H-pyrazol-3-one?
2-cyclopentyl-5-methyl-1H-pyrazol-3-one has a molecular weight of 166.22 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 66023346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).