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

C11H18N2O3 — CID 117123230

IUPAC2-cyclohexyl-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one
SMILESO=c1[nH]n(C2CCCCC2)c(O)c1CCO
InChIInChI=1S/C11H18N2O3/c14-7-6-9-10(15)12-13(11(9)16)8-4-2-1-3-5-8/h8,14,16H,1-7H2,(H,12,15)
InChIKeyWQQRAPKFJHXYGQ-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.92
Rot. Bonds3

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

2-cyclohexyl-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one (PubChem CID 117123230) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-cyclohexyl-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-cyclohexyl-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one
PubChem CID117123230
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-cyclohexyl-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one
SMILESO=c1[nH]n(C2CCCCC2)c(O)c1CCO
InChIInChI=1S/C11H18N2O3/c14-7-6-9-10(15)12-13(11(9)16)8-4-2-1-3-5-8/h8,14,16H,1-7H2,(H,12,15)
InChIKeyWQQRAPKFJHXYGQ-UHFFFAOYSA-N
XLogP0.92
TPSA78.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one?
The IUPAC name of 2-cyclohexyl-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one (CID 117123230) is 2-cyclohexyl-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one.
What is the SMILES notation for 2-cyclohexyl-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one?
The canonical SMILES for 2-cyclohexyl-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one is O=c1[nH]n(C2CCCCC2)c(O)c1CCO.
What is the InChIKey of 2-cyclohexyl-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one?
The InChIKey is WQQRAPKFJHXYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-7-6-9-10(15)12-13(11(9)16)8-4-2-1-3-5-8/h8,14,16H,1-7H2,(H,12,15).
What are the key properties of 2-cyclohexyl-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one?
2-cyclohexyl-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one has a molecular weight of 226.28 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one is sourced from PubChem (CID 117123230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).