2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one

C9H14N2O2 — CID 66021299

IUPAC2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(C2CCCC2O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-6-5-9(13)11(10-6)7-3-2-4-8(7)12/h5,7-8,10,12H,2-4H2,1H3
InChIKeyGEAJBNOEDJHTDF-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.57
Rot. Bonds1

About 2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one

2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one (PubChem CID 66021299) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one
PubChem CID66021299
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(C2CCCC2O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-6-5-9(13)11(10-6)7-3-2-4-8(7)12/h5,7-8,10,12H,2-4H2,1H3
InChIKeyGEAJBNOEDJHTDF-UHFFFAOYSA-N
XLogP0.57
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one (CID 66021299) is 2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one is Cc1cc(=O)n(C2CCCC2O)[nH]1.
What is the InChIKey of 2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one?
The InChIKey is GEAJBNOEDJHTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-5-9(13)11(10-6)7-3-2-4-8(7)12/h5,7-8,10,12H,2-4H2,1H3.
What are the key properties of 2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one?
2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one has a molecular weight of 182.22 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 66021299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).