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

C14H24N2O2 — CID 117124413

IUPAC2-cyclohexyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one
SMILESCC(C)c1[nH]n(C2CCCCC2)c(=O)c1CCO
InChIInChI=1S/C14H24N2O2/c1-10(2)13-12(8-9-17)14(18)16(15-13)11-6-4-3-5-7-11/h10-11,15,17H,3-9H2,1-2H3
InChIKeyHIKLNODWZYSJRY-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.34
Rot. Bonds4

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

2-cyclohexyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one (PubChem CID 117124413) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-cyclohexyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-cyclohexyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one
PubChem CID117124413
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-cyclohexyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one
SMILESCC(C)c1[nH]n(C2CCCCC2)c(=O)c1CCO
InChIInChI=1S/C14H24N2O2/c1-10(2)13-12(8-9-17)14(18)16(15-13)11-6-4-3-5-7-11/h10-11,15,17H,3-9H2,1-2H3
InChIKeyHIKLNODWZYSJRY-UHFFFAOYSA-N
XLogP2.34
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
CID 117123405
4-amino-2-cyclohexyl-5-propan-2-yl-1H-pyrazol-3-one
CID 103995106
4-(2-hydroxyethyl)-2,5-di(propan-2-yl)-1H-pyrazol-3-one
CID 117124484
2-cycloheptyl-5-methyl-4-propan-2-yl-1H-pyrazol-3-one
CID 66022732
2-cycloheptyl-4,5-dimethyl-1H-pyrazol-3-one
CID 66022942
4-(2-hydroxyethyl)-2-phenyl-5-propan-2-yl-1H-pyrazol-3-one
CID 117123478
methyl 2-(2-cyclohexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate
CID 125096468
2-cyclopentyl-5-propan-2-yl-1H-pyrazol-3-one
CID 66020260
4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one
CID 112693118
2-cycloheptyl-4-methyl-5-phenyl-1H-pyrazol-3-one
CID 104844889
4-(aminomethyl)-2-cyclohexyl-3-hydroxy-1H-pyrazol-5-one
CID 117123231
2-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanol
CID 105498185

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one?
The IUPAC name of 2-cyclohexyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one (CID 117124413) is 2-cyclohexyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-cyclohexyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-cyclohexyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one is CC(C)c1[nH]n(C2CCCCC2)c(=O)c1CCO.
What is the InChIKey of 2-cyclohexyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one?
The InChIKey is HIKLNODWZYSJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)13-12(8-9-17)14(18)16(15-13)11-6-4-3-5-7-11/h10-11,15,17H,3-9H2,1-2H3.
What are the key properties of 2-cyclohexyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one?
2-cyclohexyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one has a molecular weight of 252.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 117124413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).