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

C13H22N2O2 — CID 117124364

IUPAC2-cyclopentyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one
SMILESCC(C)c1[nH]n(C2CCCC2)c(=O)c1CCO
InChIInChI=1S/C13H22N2O2/c1-9(2)12-11(7-8-16)13(17)15(14-12)10-5-3-4-6-10/h9-10,14,16H,3-8H2,1-2H3
InChIKeyWRECXJWTBIHCFN-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.95
Rot. Bonds4

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

2-cyclopentyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one (PubChem CID 117124364) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-cyclopentyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-cyclopentyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one
PubChem CID117124364
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-cyclopentyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one
SMILESCC(C)c1[nH]n(C2CCCC2)c(=O)c1CCO
InChIInChI=1S/C13H22N2O2/c1-9(2)12-11(7-8-16)13(17)15(14-12)10-5-3-4-6-10/h9-10,14,16H,3-8H2,1-2H3
InChIKeyWRECXJWTBIHCFN-UHFFFAOYSA-N
XLogP1.95
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one?
The IUPAC name of 2-cyclopentyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one (CID 117124364) is 2-cyclopentyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-cyclopentyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-cyclopentyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one is CC(C)c1[nH]n(C2CCCC2)c(=O)c1CCO.
What is the InChIKey of 2-cyclopentyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one?
The InChIKey is WRECXJWTBIHCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(2)12-11(7-8-16)13(17)15(14-12)10-5-3-4-6-10/h9-10,14,16H,3-8H2,1-2H3.
What are the key properties of 2-cyclopentyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one?
2-cyclopentyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one has a molecular weight of 238.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 117124364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).