1-(cyclohexen-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one

C14H20N2O — CID 116659644

IUPAC1-(cyclohexen-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
SMILESCc1cc(CC(=O)CC2=CCCCC2)n(C)n1
InChIInChI=1S/C14H20N2O/c1-11-8-13(16(2)15-11)10-14(17)9-12-6-4-3-5-7-12/h6,8H,3-5,7,9-10H2,1-2H3
InChIKeyJDLCMGTTYSQKEG-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.73
Rot. Bonds4

About 1-(cyclohexen-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one

1-(cyclohexen-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one (PubChem CID 116659644) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
PubChem CID116659644
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(cyclohexen-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
SMILESCc1cc(CC(=O)CC2=CCCCC2)n(C)n1
InChIInChI=1S/C14H20N2O/c1-11-8-13(16(2)15-11)10-14(17)9-12-6-4-3-5-7-12/h6,8H,3-5,7,9-10H2,1-2H3
InChIKeyJDLCMGTTYSQKEG-UHFFFAOYSA-N
XLogP2.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(cyclohexen-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(cyclohexen-1-yl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-one
CID 116659833
1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 114979014
1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 79078418
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558858
1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
CID 130030095
5-chloro-1-(2,5-dimethylpyrazol-3-yl)pentan-2-one
CID 66044438
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone
CID 114978838
2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide
CID 110847891
1-(cyclohexen-1-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 116659647
1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one
CID 116564213
1-(cyclohexen-1-yl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116659612

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one (CID 116659644) is 1-(cyclohexen-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one is Cc1cc(CC(=O)CC2=CCCCC2)n(C)n1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one?
The InChIKey is JDLCMGTTYSQKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-8-13(16(2)15-11)10-14(17)9-12-6-4-3-5-7-12/h6,8H,3-5,7,9-10H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one?
1-(cyclohexen-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one is sourced from PubChem (CID 116659644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).