1-(1-cyclohexylpyrazol-3-yl)hexan-2-one

C15H24N2O — CID 79405981

IUPAC1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
SMILESCCCCC(=O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H24N2O/c1-2-3-9-15(18)12-13-10-11-17(16-13)14-7-5-4-6-8-14/h10-11,14H,2-9,12H2,1H3
InChIKeyKXKQGRGBAOZPBE-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.69
Rot. Bonds6

About 1-(1-cyclohexylpyrazol-3-yl)hexan-2-one

1-(1-cyclohexylpyrazol-3-yl)hexan-2-one (PubChem CID 79405981) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)hexan-2-one.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
PubChem CID79405981
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
SMILESCCCCC(=O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H24N2O/c1-2-3-9-15(18)12-13-10-11-17(16-13)14-7-5-4-6-8-14/h10-11,14H,2-9,12H2,1H3
InChIKeyKXKQGRGBAOZPBE-UHFFFAOYSA-N
XLogP3.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclohexylpyrazol-3-yl)hexan-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-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one
CID 113291145
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one
CID 116559419
1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one
CID 79952722
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
1-(1-cyclohexylpyrazol-3-yl)-4,5,5-trimethylhexan-2-one
CID 114975039
1-(1-cyclopentylpyrazol-3-yl)-3-hydroxyhexan-2-one
CID 103453825
1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116589010
3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
CID 116592808
4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426
1-(1-cyclopentylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-one
CID 114977442

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)hexan-2-one?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)hexan-2-one (CID 79405981) is 1-(1-cyclohexylpyrazol-3-yl)hexan-2-one.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)hexan-2-one?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)hexan-2-one is CCCCC(=O)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)hexan-2-one?
The InChIKey is KXKQGRGBAOZPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-3-9-15(18)12-13-10-11-17(16-13)14-7-5-4-6-8-14/h10-11,14H,2-9,12H2,1H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)hexan-2-one?
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one has a molecular weight of 248.37 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)hexan-2-one is sourced from PubChem (CID 79405981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).