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

C12H20N2O2 — CID 66022341

IUPAC4-ethyl-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one
SMILESCCc1c(C)[nH]n(C2CCCCC2O)c1=O
InChIInChI=1S/C12H20N2O2/c1-3-9-8(2)13-14(12(9)16)10-6-4-5-7-11(10)15/h10-11,13,15H,3-7H2,1-2H3
InChIKeyNASDKSRHFKYVEC-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.52
Rot. Bonds2

About 4-ethyl-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one

4-ethyl-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one (PubChem CID 66022341) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-ethyl-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one
PubChem CID66022341
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-ethyl-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one
SMILESCCc1c(C)[nH]n(C2CCCCC2O)c1=O
InChIInChI=1S/C12H20N2O2/c1-3-9-8(2)13-14(12(9)16)10-6-4-5-7-11(10)15/h10-11,13,15H,3-7H2,1-2H3
InChIKeyNASDKSRHFKYVEC-UHFFFAOYSA-N
XLogP1.52
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 4-ethyl-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one (CID 66022341) is 4-ethyl-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-ethyl-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 4-ethyl-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one is CCc1c(C)[nH]n(C2CCCCC2O)c1=O.
What is the InChIKey of 4-ethyl-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one?
The InChIKey is NASDKSRHFKYVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-9-8(2)13-14(12(9)16)10-6-4-5-7-11(10)15/h10-11,13,15H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one?
4-ethyl-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one has a molecular weight of 224.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 66022341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).