2-(cyclohexylmethyl)-5-methyl-4H-pyrazol-3-one

C11H18N2O — CID 1237947

IUPAC2-(cyclohexylmethyl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(CC2CCCCC2)C(=O)C1
InChIInChI=1S/C11H18N2O/c1-9-7-11(14)13(12-9)8-10-5-3-2-4-6-10/h10H,2-8H2,1H3
InChIKeyNETNRQCKVKKQLR-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.17
Rot. Bonds2

About 2-(cyclohexylmethyl)-5-methyl-4H-pyrazol-3-one

2-(cyclohexylmethyl)-5-methyl-4H-pyrazol-3-one (PubChem CID 1237947) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-5-methyl-4H-pyrazol-3-one
PubChem CID1237947
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(cyclohexylmethyl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(CC2CCCCC2)C(=O)C1
InChIInChI=1S/C11H18N2O/c1-9-7-11(14)13(12-9)8-10-5-3-2-4-6-10/h10H,2-8H2,1H3
InChIKeyNETNRQCKVKKQLR-UHFFFAOYSA-N
XLogP2.17
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(cyclohexylmethyl)-5-methyl-4H-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 2-(cyclohexylmethyl)-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 2-(cyclohexylmethyl)-5-methyl-4H-pyrazol-3-one (CID 1237947) is 2-(cyclohexylmethyl)-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(cyclohexylmethyl)-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 2-(cyclohexylmethyl)-5-methyl-4H-pyrazol-3-one is CC1=NN(CC2CCCCC2)C(=O)C1.
What is the InChIKey of 2-(cyclohexylmethyl)-5-methyl-4H-pyrazol-3-one?
The InChIKey is NETNRQCKVKKQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-7-11(14)13(12-9)8-10-5-3-2-4-6-10/h10H,2-8H2,1H3.
What are the key properties of 2-(cyclohexylmethyl)-5-methyl-4H-pyrazol-3-one?
2-(cyclohexylmethyl)-5-methyl-4H-pyrazol-3-one has a molecular weight of 194.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 1237947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).