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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Related Compounds

N-cyclopentyl-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 841522
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
CID 1923948
N,N-Dicyclohexyl-2-(3,5-dimethyl-pyrazol-1-yl)-acetamide
CID 649138
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 9363225
N-cycloheptyl-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 1224578
2-[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 891733
N-[2-(1-cyclohexen-1-yl)ethyl]-2-[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 893028
5-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1,5-diazacycloundecan-2-one
CID 110201380
1-(2-Methylpiperidyl)-2-[5-methyl-3-(trifluoromethyl)pyrazolyl]ethan-1-one
CID 649724
N-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 749632
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]acetamide
CID 16191009
N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 856392

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).