2-(3,5-dimethylpyrazol-1-yl)-N-hex-5-yn-3-ylacetamide

C13H19N3O — CID 115647178

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-hex-5-yn-3-ylacetamide
SMILESC#CCC(CC)NC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C13H19N3O/c1-5-7-12(6-2)14-13(17)9-16-11(4)8-10(3)15-16/h1,8,12H,6-7,9H2,2-4H3,(H,14,17)
InChIKeyJRTOJAWQTIQAHN-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.42
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-hex-5-yn-3-ylacetamide

2-(3,5-dimethylpyrazol-1-yl)-N-hex-5-yn-3-ylacetamide (PubChem CID 115647178) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-hex-5-yn-3-ylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-hex-5-yn-3-ylacetamide
PubChem CID115647178
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-hex-5-yn-3-ylacetamide
SMILESC#CCC(CC)NC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C13H19N3O/c1-5-7-12(6-2)14-13(17)9-16-11(4)8-10(3)15-16/h1,8,12H,6-7,9H2,2-4H3,(H,14,17)
InChIKeyJRTOJAWQTIQAHN-UHFFFAOYSA-N
XLogP1.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Cyclohex-1-enyl-ethyl)-2-(3,5-dimethyl-pyrazol-1-yl)-acetamide
CID 3153925
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
2-(3,5-dimethyl-1H-pyrazol-1-yl)acetohydrazide
CID 821228
N,N-Dicyclohexyl-2-(3,5-dimethyl-pyrazol-1-yl)-acetamide
CID 649138
N-cycloheptyl-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 1224578
5-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1,5-diazacycloundecan-2-one
CID 110201380
N-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2257667
N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 856392
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 720035
N-butyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 1877172
2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(propan-2-yl)propanamide
CID 5241859

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-hex-5-yn-3-ylacetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-hex-5-yn-3-ylacetamide (CID 115647178) is 2-(3,5-dimethylpyrazol-1-yl)-N-hex-5-yn-3-ylacetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-hex-5-yn-3-ylacetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-hex-5-yn-3-ylacetamide is C#CCC(CC)NC(=O)Cn1nc(C)cc1C.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-hex-5-yn-3-ylacetamide?
The InChIKey is JRTOJAWQTIQAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-5-7-12(6-2)14-13(17)9-16-11(4)8-10(3)15-16/h1,8,12H,6-7,9H2,2-4H3,(H,14,17).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-hex-5-yn-3-ylacetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-hex-5-yn-3-ylacetamide has a molecular weight of 233.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-hex-5-yn-3-ylacetamide is sourced from PubChem (CID 115647178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).