2-(2-hydroxycyclohexyl)-4,5-dimethyl-1H-pyrazol-3-one

C11H18N2O2 — CID 66023160

IUPAC2-(2-hydroxycyclohexyl)-4,5-dimethyl-1H-pyrazol-3-one
SMILESCc1[nH]n(C2CCCCC2O)c(=O)c1C
InChIInChI=1S/C11H18N2O2/c1-7-8(2)12-13(11(7)15)9-5-3-4-6-10(9)14/h9-10,12,14H,3-6H2,1-2H3
InChIKeyOYDYQBSHHDURBU-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.27
Rot. Bonds1

About 2-(2-hydroxycyclohexyl)-4,5-dimethyl-1H-pyrazol-3-one

2-(2-hydroxycyclohexyl)-4,5-dimethyl-1H-pyrazol-3-one (PubChem CID 66023160) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(2-hydroxycyclohexyl)-4,5-dimethyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-hydroxycyclohexyl)-4,5-dimethyl-1H-pyrazol-3-one
PubChem CID66023160
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(2-hydroxycyclohexyl)-4,5-dimethyl-1H-pyrazol-3-one
SMILESCc1[nH]n(C2CCCCC2O)c(=O)c1C
InChIInChI=1S/C11H18N2O2/c1-7-8(2)12-13(11(7)15)9-5-3-4-6-10(9)14/h9-10,12,14H,3-6H2,1-2H3
InChIKeyOYDYQBSHHDURBU-UHFFFAOYSA-N
XLogP1.27
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclohexyl)-4,5-dimethyl-1H-pyrazol-3-one?
The IUPAC name of 2-(2-hydroxycyclohexyl)-4,5-dimethyl-1H-pyrazol-3-one (CID 66023160) is 2-(2-hydroxycyclohexyl)-4,5-dimethyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(2-hydroxycyclohexyl)-4,5-dimethyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(2-hydroxycyclohexyl)-4,5-dimethyl-1H-pyrazol-3-one is Cc1[nH]n(C2CCCCC2O)c(=O)c1C.
What is the InChIKey of 2-(2-hydroxycyclohexyl)-4,5-dimethyl-1H-pyrazol-3-one?
The InChIKey is OYDYQBSHHDURBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7-8(2)12-13(11(7)15)9-5-3-4-6-10(9)14/h9-10,12,14H,3-6H2,1-2H3.
What are the key properties of 2-(2-hydroxycyclohexyl)-4,5-dimethyl-1H-pyrazol-3-one?
2-(2-hydroxycyclohexyl)-4,5-dimethyl-1H-pyrazol-3-one has a molecular weight of 210.28 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclohexyl)-4,5-dimethyl-1H-pyrazol-3-one is sourced from PubChem (CID 66023160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).