2-cyclopentyl-5-ethyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one

C12H20N2O2 — CID 117124362

IUPAC2-cyclopentyl-5-ethyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one
SMILESCCc1[nH]n(C2CCCC2)c(=O)c1CCO
InChIInChI=1S/C12H20N2O2/c1-2-11-10(7-8-15)12(16)14(13-11)9-5-3-4-6-9/h9,13,15H,2-8H2,1H3
InChIKeyOLAOVZKFCKBMEL-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.39
Rot. Bonds4

About 2-cyclopentyl-5-ethyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one

2-cyclopentyl-5-ethyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one (PubChem CID 117124362) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-cyclopentyl-5-ethyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-cyclopentyl-5-ethyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one
PubChem CID117124362
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-cyclopentyl-5-ethyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one
SMILESCCc1[nH]n(C2CCCC2)c(=O)c1CCO
InChIInChI=1S/C12H20N2O2/c1-2-11-10(7-8-15)12(16)14(13-11)9-5-3-4-6-9/h9,13,15H,2-8H2,1H3
InChIKeyOLAOVZKFCKBMEL-UHFFFAOYSA-N
XLogP1.39
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-ethyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-cyclopentyl-5-ethyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one (CID 117124362) is 2-cyclopentyl-5-ethyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-cyclopentyl-5-ethyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-cyclopentyl-5-ethyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one is CCc1[nH]n(C2CCCC2)c(=O)c1CCO.
What is the InChIKey of 2-cyclopentyl-5-ethyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one?
The InChIKey is OLAOVZKFCKBMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-11-10(7-8-15)12(16)14(13-11)9-5-3-4-6-9/h9,13,15H,2-8H2,1H3.
What are the key properties of 2-cyclopentyl-5-ethyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one?
2-cyclopentyl-5-ethyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one has a molecular weight of 224.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-ethyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 117124362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).