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

C12H20N2O2 — CID 117123408

IUPAC2-cyclohexyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
SMILESCc1[nH]n(C2CCCCC2)c(=O)c1CCO
InChIInChI=1S/C12H20N2O2/c1-9-11(7-8-15)12(16)14(13-9)10-5-3-2-4-6-10/h10,13,15H,2-8H2,1H3
InChIKeyAEBVTFSSLAUCJX-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.52
Rot. Bonds3

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

2-cyclohexyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one (PubChem CID 117123408) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-cyclohexyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-cyclohexyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
PubChem CID117123408
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-cyclohexyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
SMILESCc1[nH]n(C2CCCCC2)c(=O)c1CCO
InChIInChI=1S/C12H20N2O2/c1-9-11(7-8-15)12(16)14(13-9)10-5-3-2-4-6-10/h10,13,15H,2-8H2,1H3
InChIKeyAEBVTFSSLAUCJX-UHFFFAOYSA-N
XLogP1.52
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

4-(2-Hydroxyethyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one
CID 1472913
2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
CID 1472923
2-cyclohexyl-4-ethyl-5-methyl-1H-pyrazol-3-one
CID 66021286
4-ethyl-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one
CID 66022341
2-(2-hydroxycyclohexyl)-5-methyl-4-propan-2-yl-1H-pyrazol-3-one
CID 66022749
5-ethyl-2-(2-hydroxycyclohexyl)-4-methyl-1H-pyrazol-3-one
CID 66022957
2-cyclohexyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one
CID 115068680
2-cyclohexyl-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one
CID 117123230
2-cyclopentyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
CID 117123405
2-ethyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
CID 117123413
4-(2-hydroxyethyl)-5-methyl-2-propan-2-yl-1H-pyrazol-3-one
CID 117123414
2-cyclopentyl-5-ethyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one
CID 117124362

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-cyclohexyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one (CID 117123408) is 2-cyclohexyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-cyclohexyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-cyclohexyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one is Cc1[nH]n(C2CCCCC2)c(=O)c1CCO.
What is the InChIKey of 2-cyclohexyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one?
The InChIKey is AEBVTFSSLAUCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9-11(7-8-15)12(16)14(13-9)10-5-3-2-4-6-10/h10,13,15H,2-8H2,1H3.
What are the key properties of 2-cyclohexyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one?
2-cyclohexyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one has a molecular weight of 224.30 g/mol, XLogP of 1.52, 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)-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 117123408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).