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

C10H16N2O — CID 66020467

IUPAC2-cyclopentyl-5-ethyl-1H-pyrazol-3-one
SMILESCCc1cc(=O)n(C2CCCC2)[nH]1
InChIInChI=1S/C10H16N2O/c1-2-8-7-10(13)12(11-8)9-5-3-4-6-9/h7,9,11H,2-6H2,1H3
InChIKeyJZYIEACFBIEOCB-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.85
Rot. Bonds2

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

2-cyclopentyl-5-ethyl-1H-pyrazol-3-one (PubChem CID 66020467) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-cyclopentyl-5-ethyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-cyclopentyl-5-ethyl-1H-pyrazol-3-one
PubChem CID66020467
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-cyclopentyl-5-ethyl-1H-pyrazol-3-one
SMILESCCc1cc(=O)n(C2CCCC2)[nH]1
InChIInChI=1S/C10H16N2O/c1-2-8-7-10(13)12(11-8)9-5-3-4-6-9/h7,9,11H,2-6H2,1H3
InChIKeyJZYIEACFBIEOCB-UHFFFAOYSA-N
XLogP1.85
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-ethyl-1H-pyrazol-3-one?
The IUPAC name of 2-cyclopentyl-5-ethyl-1H-pyrazol-3-one (CID 66020467) is 2-cyclopentyl-5-ethyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-cyclopentyl-5-ethyl-1H-pyrazol-3-one?
The canonical SMILES for 2-cyclopentyl-5-ethyl-1H-pyrazol-3-one is CCc1cc(=O)n(C2CCCC2)[nH]1.
What is the InChIKey of 2-cyclopentyl-5-ethyl-1H-pyrazol-3-one?
The InChIKey is JZYIEACFBIEOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-8-7-10(13)12(11-8)9-5-3-4-6-9/h7,9,11H,2-6H2,1H3.
What are the key properties of 2-cyclopentyl-5-ethyl-1H-pyrazol-3-one?
2-cyclopentyl-5-ethyl-1H-pyrazol-3-one has a molecular weight of 180.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-ethyl-1H-pyrazol-3-one is sourced from PubChem (CID 66020467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).