3-amino-1-(1-cyclohexylpyrazol-3-yl)hex-5-en-2-one

C15H23N3O — CID 116607065

IUPAC3-amino-1-(1-cyclohexylpyrazol-3-yl)hex-5-en-2-one
SMILESC=CCC(N)C(=O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H23N3O/c1-2-6-14(16)15(19)11-12-9-10-18(17-12)13-7-4-3-5-8-13/h2,9-10,13-14H,1,3-8,11,16H2
InChIKeyVSCAHAWHEIFTJY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.40
Rot. Bonds6

About 3-amino-1-(1-cyclohexylpyrazol-3-yl)hex-5-en-2-one

3-amino-1-(1-cyclohexylpyrazol-3-yl)hex-5-en-2-one (PubChem CID 116607065) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-amino-1-(1-cyclohexylpyrazol-3-yl)hex-5-en-2-one.

Molecular Properties

Compound Name3-amino-1-(1-cyclohexylpyrazol-3-yl)hex-5-en-2-one
PubChem CID116607065
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-amino-1-(1-cyclohexylpyrazol-3-yl)hex-5-en-2-one
SMILESC=CCC(N)C(=O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H23N3O/c1-2-6-14(16)15(19)11-12-9-10-18(17-12)13-7-4-3-5-8-13/h2,9-10,13-14H,1,3-8,11,16H2
InChIKeyVSCAHAWHEIFTJY-UHFFFAOYSA-N
XLogP2.40
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-1-(1-cyclohexylpyrazol-3-yl)hex-5-en-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

3-amino-1-(1-cyclopentylpyrazol-3-yl)-5-methylsulfonylpentan-2-one
CID 116552125
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721
1-amino-3-(1-cyclopentylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601706
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one
CID 103458105
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-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 116550638
3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
CID 116592808
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-cyclohexylpyrazol-3-yl)hex-5-en-2-one?
The IUPAC name of 3-amino-1-(1-cyclohexylpyrazol-3-yl)hex-5-en-2-one (CID 116607065) is 3-amino-1-(1-cyclohexylpyrazol-3-yl)hex-5-en-2-one.
What is the SMILES notation for 3-amino-1-(1-cyclohexylpyrazol-3-yl)hex-5-en-2-one?
The canonical SMILES for 3-amino-1-(1-cyclohexylpyrazol-3-yl)hex-5-en-2-one is C=CCC(N)C(=O)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 3-amino-1-(1-cyclohexylpyrazol-3-yl)hex-5-en-2-one?
The InChIKey is VSCAHAWHEIFTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-6-14(16)15(19)11-12-9-10-18(17-12)13-7-4-3-5-8-13/h2,9-10,13-14H,1,3-8,11,16H2.
What are the key properties of 3-amino-1-(1-cyclohexylpyrazol-3-yl)hex-5-en-2-one?
3-amino-1-(1-cyclohexylpyrazol-3-yl)hex-5-en-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-cyclohexylpyrazol-3-yl)hex-5-en-2-one is sourced from PubChem (CID 116607065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).