2-cyclohexyl-5-(2-oxopropyl)-1H-pyrazol-3-one

C12H18N2O2 — CID 83890709

IUPAC2-cyclohexyl-5-(2-oxopropyl)-1H-pyrazol-3-one
SMILESCC(=O)Cc1cc(=O)n(C2CCCCC2)[nH]1
InChIInChI=1S/C12H18N2O2/c1-9(15)7-10-8-12(16)14(13-10)11-5-3-2-4-6-11/h8,11,13H,2-7H2,1H3
InChIKeyGXOOEBSXXRHTPV-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.81
Rot. Bonds3

About 2-cyclohexyl-5-(2-oxopropyl)-1H-pyrazol-3-one

2-cyclohexyl-5-(2-oxopropyl)-1H-pyrazol-3-one (PubChem CID 83890709) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-cyclohexyl-5-(2-oxopropyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-cyclohexyl-5-(2-oxopropyl)-1H-pyrazol-3-one
PubChem CID83890709
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-cyclohexyl-5-(2-oxopropyl)-1H-pyrazol-3-one
SMILESCC(=O)Cc1cc(=O)n(C2CCCCC2)[nH]1
InChIInChI=1S/C12H18N2O2/c1-9(15)7-10-8-12(16)14(13-10)11-5-3-2-4-6-11/h8,11,13H,2-7H2,1H3
InChIKeyGXOOEBSXXRHTPV-UHFFFAOYSA-N
XLogP1.81
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 66020467
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5-amino-2-cyclohexyl-1H-pyrazol-3-one
CID 46318268
5-tert-butyl-2-cyclohexyl-1H-pyrazol-3-one
CID 66021285
2-cyclopentyl-5-propan-2-yl-1H-pyrazol-3-one
CID 66020260
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CID 70588924
5-(aminomethyl)-2-(oxan-4-yl)-1H-pyrazol-3-one
CID 83880109
2-[2-(oxan-4-yl)-3-oxo-1H-pyrazol-5-yl]acetaldehyde
CID 83884958
2-cyclopentyl-5-phenyl-1H-pyrazol-3-one
CID 66020671
2-cyclobutyl-5-(difluoromethyl)-1H-pyrazol-3-one
CID 99110856
1-(3-cyclohexylimidazol-4-yl)propan-2-one
CID 83882909
2-cyclohexyl-5-(methoxymethyl)-1H-pyrazole-3-thione
CID 62408507

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-(2-oxopropyl)-1H-pyrazol-3-one?
The IUPAC name of 2-cyclohexyl-5-(2-oxopropyl)-1H-pyrazol-3-one (CID 83890709) is 2-cyclohexyl-5-(2-oxopropyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-cyclohexyl-5-(2-oxopropyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-cyclohexyl-5-(2-oxopropyl)-1H-pyrazol-3-one is CC(=O)Cc1cc(=O)n(C2CCCCC2)[nH]1.
What is the InChIKey of 2-cyclohexyl-5-(2-oxopropyl)-1H-pyrazol-3-one?
The InChIKey is GXOOEBSXXRHTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(15)7-10-8-12(16)14(13-10)11-5-3-2-4-6-11/h8,11,13H,2-7H2,1H3.
What are the key properties of 2-cyclohexyl-5-(2-oxopropyl)-1H-pyrazol-3-one?
2-cyclohexyl-5-(2-oxopropyl)-1H-pyrazol-3-one has a molecular weight of 222.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(2-oxopropyl)-1H-pyrazol-3-one is sourced from PubChem (CID 83890709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).