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

C11H18N2O2 — CID 115068680

IUPAC2-cyclohexyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one
SMILESO=c1c(CCO)c[nH]n1C1CCCCC1
InChIInChI=1S/C11H18N2O2/c14-7-6-9-8-12-13(11(9)15)10-4-2-1-3-5-10/h8,10,12,14H,1-7H2
InChIKeyJKLJYGUINOHGAI-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.22
Rot. Bonds3

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

2-cyclohexyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one (PubChem CID 115068680) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-cyclohexyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-cyclohexyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one
PubChem CID115068680
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-cyclohexyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one
SMILESO=c1c(CCO)c[nH]n1C1CCCCC1
InChIInChI=1S/C11H18N2O2/c14-7-6-9-8-12-13(11(9)15)10-4-2-1-3-5-10/h8,10,12,14H,1-7H2
InChIKeyJKLJYGUINOHGAI-UHFFFAOYSA-N
XLogP1.22
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-cyclohexyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one (CID 115068680) is 2-cyclohexyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-cyclohexyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-cyclohexyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one is O=c1c(CCO)c[nH]n1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one?
The InChIKey is JKLJYGUINOHGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-7-6-9-8-12-13(11(9)15)10-4-2-1-3-5-10/h8,10,12,14H,1-7H2.
What are the key properties of 2-cyclohexyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one?
2-cyclohexyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one has a molecular weight of 210.28 g/mol, XLogP of 1.22, 3 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)-1H-pyrazol-3-one is sourced from PubChem (CID 115068680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).