5-ethyl-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one

C11H18N2O2 — CID 66022541

IUPAC5-ethyl-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one
SMILESCCc1cc(=O)n(C2CCCCC2O)[nH]1
InChIInChI=1S/C11H18N2O2/c1-2-8-7-11(15)13(12-8)9-5-3-4-6-10(9)14/h7,9-10,12,14H,2-6H2,1H3
InChIKeyXIXASVYRTYVPGT-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.21
Rot. Bonds2

About 5-ethyl-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one

5-ethyl-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one (PubChem CID 66022541) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-ethyl-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-ethyl-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one
PubChem CID66022541
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-ethyl-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one
SMILESCCc1cc(=O)n(C2CCCCC2O)[nH]1
InChIInChI=1S/C11H18N2O2/c1-2-8-7-11(15)13(12-8)9-5-3-4-6-10(9)14/h7,9-10,12,14H,2-6H2,1H3
InChIKeyXIXASVYRTYVPGT-UHFFFAOYSA-N
XLogP1.21
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one?
The IUPAC name of 5-ethyl-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one (CID 66022541) is 5-ethyl-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-ethyl-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-ethyl-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one is CCc1cc(=O)n(C2CCCCC2O)[nH]1.
What is the InChIKey of 5-ethyl-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one?
The InChIKey is XIXASVYRTYVPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-8-7-11(15)13(12-8)9-5-3-4-6-10(9)14/h7,9-10,12,14H,2-6H2,1H3.
What are the key properties of 5-ethyl-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one?
5-ethyl-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one has a molecular weight of 210.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one is sourced from PubChem (CID 66022541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).