N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

C15H23N3O — CID 3153925

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NCCC2=CCCCC2)n1
InChIInChI=1S/C15H23N3O/c1-12-10-13(2)18(17-12)11-15(19)16-9-8-14-6-4-3-5-7-14/h6,10H,3-5,7-9,11H2,1-2H3,(H,16,19)
InChIKeyZLHZUSIVLVLCDP-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.51
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 3153925) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID3153925
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NCCC2=CCCCC2)n1
InChIInChI=1S/C15H23N3O/c1-12-10-13(2)18(17-12)11-15(19)16-9-8-14-6-4-3-5-7-14/h6,10H,3-5,7-9,11H2,1-2H3,(H,16,19)
InChIKeyZLHZUSIVLVLCDP-UHFFFAOYSA-N
XLogP2.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 3153925) is N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)NCCC2=CCCCC2)n1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is ZLHZUSIVLVLCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-10-13(2)18(17-12)11-15(19)16-9-8-14-6-4-3-5-7-14/h6,10H,3-5,7-9,11H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 3153925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).