5-cyclohexyl-2-(3-phenylpropyl)-4H-pyrazol-3-one

C18H24N2O — CID 86111548

IUPAC5-cyclohexyl-2-(3-phenylpropyl)-4H-pyrazol-3-one
SMILESO=C1CC(C2CCCCC2)=NN1CCCc1ccccc1
InChIInChI=1S/C18H24N2O/c21-18-14-17(16-11-5-2-6-12-16)19-20(18)13-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14H2
InChIKeyFNMNVGDBCOREAE-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.79
Rot. Bonds5

About 5-cyclohexyl-2-(3-phenylpropyl)-4H-pyrazol-3-one

5-cyclohexyl-2-(3-phenylpropyl)-4H-pyrazol-3-one (PubChem CID 86111548) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-cyclohexyl-2-(3-phenylpropyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-cyclohexyl-2-(3-phenylpropyl)-4H-pyrazol-3-one
PubChem CID86111548
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name5-cyclohexyl-2-(3-phenylpropyl)-4H-pyrazol-3-one
SMILESO=C1CC(C2CCCCC2)=NN1CCCc1ccccc1
InChIInChI=1S/C18H24N2O/c21-18-14-17(16-11-5-2-6-12-16)19-20(18)13-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14H2
InChIKeyFNMNVGDBCOREAE-UHFFFAOYSA-N
XLogP3.79
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-(3-phenylpropyl)-4H-pyrazol-3-one?
The IUPAC name of 5-cyclohexyl-2-(3-phenylpropyl)-4H-pyrazol-3-one (CID 86111548) is 5-cyclohexyl-2-(3-phenylpropyl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-cyclohexyl-2-(3-phenylpropyl)-4H-pyrazol-3-one?
The canonical SMILES for 5-cyclohexyl-2-(3-phenylpropyl)-4H-pyrazol-3-one is O=C1CC(C2CCCCC2)=NN1CCCc1ccccc1.
What is the InChIKey of 5-cyclohexyl-2-(3-phenylpropyl)-4H-pyrazol-3-one?
The InChIKey is FNMNVGDBCOREAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c21-18-14-17(16-11-5-2-6-12-16)19-20(18)13-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14H2.
What are the key properties of 5-cyclohexyl-2-(3-phenylpropyl)-4H-pyrazol-3-one?
5-cyclohexyl-2-(3-phenylpropyl)-4H-pyrazol-3-one has a molecular weight of 284.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-(3-phenylpropyl)-4H-pyrazol-3-one is sourced from PubChem (CID 86111548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).