1-(cyclohexen-1-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one

C17H26N2O — CID 116659647

IUPAC1-(cyclohexen-1-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
SMILESCCC(CC)n1ccc(CC(=O)CC2=CCCCC2)n1
InChIInChI=1S/C17H26N2O/c1-3-16(4-2)19-11-10-15(18-19)13-17(20)12-14-8-6-5-7-9-14/h8,10-11,16H,3-7,9,12-13H2,1-2H3
InChIKeyCGFGQBWUPGBZGD-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.25
Rot. Bonds7

About 1-(cyclohexen-1-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one

1-(cyclohexen-1-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one (PubChem CID 116659647) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
PubChem CID116659647
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(cyclohexen-1-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
SMILESCCC(CC)n1ccc(CC(=O)CC2=CCCCC2)n1
InChIInChI=1S/C17H26N2O/c1-3-16(4-2)19-11-10-15(18-19)13-17(20)12-14-8-6-5-7-9-14/h8,10-11,16H,3-7,9,12-13H2,1-2H3
InChIKeyCGFGQBWUPGBZGD-UHFFFAOYSA-N
XLogP4.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-one
CID 64783167
1-(1-pentan-3-ylpyrazol-3-yl)decan-2-one
CID 114976149
1-(cyclohexen-1-yl)-4-methylhexan-2-one
CID 116659650
2-(1-butan-2-ylpyrazol-3-yl)-1-(cyclohepten-1-yl)ethanone
CID 103450477
1-(cyclohexen-1-yl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-one
CID 116659833
1-(cyclohexen-1-yl)-4-methylheptan-2-one
CID 116659771
1-[5-(aminomethyl)furan-2-yl]-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 116590162
3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
CID 116592810
1-(cyclohexen-1-yl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116659612
1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
CID 130030095
1-(cyclohexen-1-yl)-3-methylpentan-2-one
CID 116659851
1-(3,5-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 114976128

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one (CID 116659647) is 1-(cyclohexen-1-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one is CCC(CC)n1ccc(CC(=O)CC2=CCCCC2)n1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one?
The InChIKey is CGFGQBWUPGBZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-16(4-2)19-11-10-15(18-19)13-17(20)12-14-8-6-5-7-9-14/h8,10-11,16H,3-7,9,12-13H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one?
1-(cyclohexen-1-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one has a molecular weight of 274.41 g/mol, XLogP of 4.25, 7 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-(1-pentan-3-ylpyrazol-3-yl)propan-2-one is sourced from PubChem (CID 116659647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).